Search results for: '953-91-3'

: Cyclohexyl p-Toluenesulfonate
Cas Number: 953-91-3

Formula: C₁₃H₁₈O₃S

Molecular weight: 254.34

Synonyms: Benzenesulfonic acid, cyclohexyl ester | cyclohexyl-p-toluenesulfonate | C2363 | NSC 127370 | NSC127...

SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2

InChIKey: OHHPZPDQZMUTCA-UHFFFAOYSA-N

InChI: InChI=1S/C13H18O3S/c1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3

Product No.
Description
Grade & Purity (?)

C153675
Cyclohexyl p-Toluenesulfonate
- ≥98%(HPLC)
| Pricing Close

: Diphenyl-2-pyridylmethane
Cas Number: 3678-70-4

Formula: C₁₈H₁₅N

Molecular weight: 245.3

Synonyms: Diphenyl-2-pyridylmethane | 2-Benzhydrylpyridine | Pyridine, 2-(diphenylmethyl)- | 2-(diphenylmethyl...

SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=N3

InChIKey: MMXYNKLYVRNTCK-UHFFFAOYSA-N

InChI: InChI=1S/C18H15N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-14,18H

Product No.
Description
Grade & Purity (?)

D667972
Diphenyl-2-pyridylmethane
| Pricing Close

: 4-Cyano-4'-undecylbiphenyl
Cas Number: 65860-74-4

Formula: C₂₄H₃₁N

Molecular weight: 333.52

Synonyms: 4-undecyl-4'-cyanobiphenyl | SCHEMBL1896035 | AS-64552 | (1,1'-Biphenyl)-4-carbonitrile, 4'-undecyl-...

SMILES: CCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChIKey: YIJBPYUXIFSTAP-UHFFFAOYSA-N

InChI: InChI=1S/C24H31N/c1-2-3-4-5-6-7-8-9-10-11-21-12-16-23(17-13-21)24-18-14-22(20-25)15-19-24/h12-19H,2-11H2,1H3

Product No.
Description
Grade & Purity (?)

C153932
4-Cyano-4'-undecylbiphenyl
- ≥98%
| Pricing Close

: (E)-Ethyl 4-Nitrocinnamate
Cas Number: 24393-61-1

Formula: C₁₁H₁₁NO₄

Molecular weight: 221.21

Synonyms: Ethyl 4-nitrocinnamate|953-26-4|Ethyl p-nitrocinnamate|24393-61-1|2-Propenoic acid, 3-(4-nitrophenyl...

SMILES: CCOC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]

InChIKey: PFBQVGXIMLXCQB-VMPITWQZSA-N

InChI: InChI=1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3/b8-5+

Product No.
Description
Grade & Purity (?)

E404783
(E)-Ethyl 4-Nitrocinnamate
- ≥98%(GC)
| Pricing Close

: 3-(1-fluoroethyl)oxetane-3-carboxylic acid
Cas Number: 1782557-91-8

Formula: C₆H₉O₃F

Molecular weight: 148.13

Synonyms: F89598 | 3-(1-FLUOROETHYL)OXETANE-3-CARBOXYLIC ACID | 1782557-91-8

SMILES: CC(C1(COC1)C(=O)O)F

InChIKey: OEZYNBJDLXTIIE-UHFFFAOYSA-N

InChI: InChI=1S/C6H9FO3/c1-4(7)6(5(8)9)2-10-3-6/h4H,2-3H2,1H3,(H,8,9)

Product No.
Description
Grade & Purity (?)

O637781
3-(1-fluoroethyl)oxetane-3-carboxylic acid
- ≥97%
| Pricing Close

: Dabigatran-d3
Cas Number: 1246817-44-6

Formula: C₂₅H₂₂D₃N₇O₃

Molecular weight: 474.53

Synonyms: HY-10163S1 | Dabigatran-d3 | N-{2-[(4-Carbamimidoylanilino)methyl]-1-(~2~H_3_)methyl-1H-benzimidazol...

SMILES: CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N

InChIKey: YBSJFWOBGCMAKL-FIBGUPNXSA-N

InChI: InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)/i1D3

Product No.
Description
Grade & Purity (?)

D646788
Dabigatran-d3
| Pricing Close

: 3-(3-chlorophenyl)cyclobutanecarboxylic acid
Cas Number: 1781632-91-4 EC Number: 873-059-0

Formula: C₁₁H₁₁O₂Cl

Molecular weight: 210.66

Synonyms: AS-79226 | P20831 | MFCD28987591 | 1781632-91-4 | starbld0048553 | SY323072 | 3-(3-Chlorophenyl)cycl...

SMILES: C1C(CC1C(=O)O)C2=CC(=CC=C2)Cl

InChIKey: IHPNWEGGODMXKK-UHFFFAOYSA-N

InChI: InChI=1S/C11H11ClO2/c12-10-3-1-2-7(6-10)8-4-9(5-8)11(13)14/h1-3,6,8-9H,4-5H2,(H,13,14)

Product No.
Description
Grade & Purity (?)

C630373
3-(3-chlorophenyl)cyclobutanecarboxylic acid
- ≥97%
| Pricing Close

: (3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-amine
Cas Number: 2382612-91-9

Formula: C₈H₇N₂OF₃·HCl

Molecular weight: 240.61

Synonyms: (3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-amine | 2382612-91-9 | F78292

SMILES: C1C(C2=C(O1)N=C(C=C2)C(F)(F)F)N

InChIKey: ZVSUVSCIQGRJLL-RXMQYKEDSA-N

InChI: InChI=1S/C8H7F3N2O/c9-8(10,11)6-2-1-4-5(12)3-14-7(4)13-6/h1-2,5H,3,12H2/t5-/m1/s1

Product No.
Description
Grade & Purity (?)

D632891
(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-amine
- ≥97%
| Pricing Close

: 1-benzyl-5,5-dimethylpyrrolidin-3-ol
Cas Number: 1903539-91-2

Formula: C₁₃H₁₉NO

Molecular weight: 205.3

Synonyms: 1-benzyl-5,5-dimethylpyrrolidin-3-ol | 1903539-91-2 | starbld0049843 | SCHEMBL23377484 | MFCD3080311...

SMILES: CC1(CC(CN1CC2=CC=CC=C2)O)C

InChIKey: QHHWNZGAHJFNBO-UHFFFAOYSA-N

InChI: InChI=1S/C13H19NO/c1-13(2)8-12(15)10-14(13)9-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3

Product No.
Description
Grade & Purity (?)

B630984
1-benzyl-5,5-dimethylpyrrolidin-3-ol
- ≥97%
| Pricing Close

: ethyl trans-4-hydroxypyrrolidine-3-carboxylate;hydrochloride
Cas Number: 2102860-91-1

Synonyms: Ethyl (3R,4S)-rel-4-Hydroxypyrrolidine-3-carboxylate Hydrochloride | 2102860-91-1 | MFCD32876480 | S...

SMILES: CCOC(=O)C1CNCC1O.CCOC(=O)C1CNCC1O.Cl.Cl

InChIKey: QZIUXYXPABOPPE-UHFFFAOYSA-N

InChI: InChI=1S/2C7H13NO3.2ClH/c2*1-2-11-7(10)5-3-8-4-6(5)9;;/h2*5-6,8-9H,2-4H2,1H3;2*1H

Product No.
Description
Grade & Purity (?)

E631661
ethyl trans-4-hydroxypyrrolidine-3-carboxylate;hydrochloride
- ≥97%
| Pricing Close

: 3-Methoxyphenylhydrazine hydrochloride
Cas Number: 39232-91-2

Formula: C₇H₁₀N₂O• XHCl

Molecular weight: 138.17 (free-basis)

Synonyms: 39232-91-2|3-Methoxyphenylhydrazine hydrochloride|(3-methoxyphenyl)hydrazine Hydrochloride|3-Methoxy...

SMILES: COC1=CC=CC(=C1)NN.Cl

InChIKey: GMXFZBZOVZOYNQ-UHFFFAOYSA-N

InChI: InChI=1S/C7H10N2O.ClH/c1-10-7-4-2-3-6(5-7)9-8;/h2-5,9H,8H2,1H3;1H

Product No.
Description
Grade & Purity (?)

M492152
3-Methoxyphenylhydrazine hydrochloride
- ≥98%
| Pricing Close

: 1-(ethanesulfonyl)azetidin-3-one
Cas Number: 1401222-91-0

Formula: C₅H₉NO₃S

Molecular weight: 163.19

Synonyms: 1-(Ethanesulfonyl)azetidin-3-one | 1401222-91-0 | 1-(ethylsulfonyl)azetidin-3-one | SCHEMBL18322788 ...

SMILES: CCS(=O)(=O)N1CC(=O)C1

InChIKey: HOKDGFQHCDLYMB-UHFFFAOYSA-N

InChI: InChI=1S/C5H9NO3S/c1-2-10(8,9)6-3-5(7)4-6/h2-4H2,1H3

Product No.
Description
Grade & Purity (?)

A637621
1-(ethanesulfonyl)azetidin-3-one
- ≥97%
| Pricing Close

: tert-butyl 3-(hydroxymethyl)-3-(methoxymethyl)azetidine-1-carboxylate
Cas Number: 2231676-91-6

Formula: C₁₁H₂₁NO₄

Molecular weight: 231.29

Synonyms: 2231676-91-6 | tert-butyl 3-(hydroxymethyl)-3-(methoxymethyl)azetidine-1-carboxylate | F86015 | tert...

SMILES: CC(C)(C)OC(=O)N1CC(C1)(CO)COC

InChIKey: AGYCFDZHYNTEJR-UHFFFAOYSA-N

InChI: InChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-5-11(6-12,7-13)8-15-4/h13H,5-8H2,1-4H3

Product No.
Description
Grade & Purity (?)

T635795
tert-butyl 3-(hydroxymethyl)-3-(methoxymethyl)azetidine-1-carboxylate
- ≥97%
| Pricing Close

: 1-benzyl-4-(oxetan-3-yl)piperazine
Cas Number: 2322073-91-4

Formula: C₁₄H₂₀N₂O

Molecular weight: 232.32

Synonyms: 1-benzyl-4-(oxetan-3-yl)piperazine | 2322073-91-4 | MFCD32174216 | BS-43696 | P19826

SMILES: C1CN(CCN1CC2=CC=CC=C2)C3COC3

InChIKey: VTPMUMJUXIYHJT-UHFFFAOYSA-N

InChI: InChI=1S/C14H20N2O/c1-2-4-13(5-3-1)10-15-6-8-16(9-7-15)14-11-17-12-14/h1-5,14H,6-12H2

Product No.
Description
Grade & Purity (?)

B632771
1-benzyl-4-(oxetan-3-yl)piperazine
- ≥97%
| Pricing Close

: methyl (2S,3S)-3-ethylpyrrolidine-2-carboxylate;hydrochloride
Cas Number: 189690-91-3

Synonyms: 189690-91-3 | methyl (2S,3S)-3-ethylpyrrolidine-2-carboxylate | hydrochloride | F89413 | METHYL (2S,...

SMILES: CCC1CCNC1C(=O)OC.Cl

InChIKey: UULFFIJPLBXISM-LEUCUCNGSA-N

InChI: InChI=1S/C8H15NO2.ClH/c1-3-6-4-5-9-7(6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7-;/m0./s1

Product No.
Description
Grade & Purity (?)

M630972
methyl (2S,3S)-3-ethylpyrrolidine-2-carboxylate;hydrochloride
- ≥97%
| Pricing Close

: methyl cis-3-(dibenzylamino)cyclobutanecarboxylate
Cas Number: 2252349-91-8

Formula: C₂₀H₂₃NO₂

Molecular weight: 309.4

Synonyms: methyl 3-(dibenzylamino)cyclobutanecarboxylate | 1683616-58-1 | methyl cis-3-(dibenzylamino)cyclobut...

SMILES: COC(=O)C1CC(C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChIKey: MYIDAJYMGAWLJI-UHFFFAOYSA-N

InChI: InChI=1S/C20H23NO2/c1-23-20(22)18-12-19(13-18)21(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3

Product No.
Description
Grade & Purity (?)

M637974
methyl cis-3-(dibenzylamino)cyclobutanecarboxylate
- ≥97%
| Pricing Close

: 3-ethynylazetidine hydrochloride
Cas Number: 1426424-91-0

Formula: C₅H₈ClN

Molecular weight: 117.58

Synonyms: 3-ethynylazetidine hydrochloride|1426424-91-0|3-Ethynylazetidine HCl|3-ethynylazetidine;hydrochlorid...

SMILES: C#CC1CNC1.Cl

InChIKey: OMNLKHUIGCZRQQ-UHFFFAOYSA-N

InChI: InChI=1S/C5H7N.ClH/c1-2-5-3-6-4-5;/h1,5-6H,3-4H2;1H

Product No.
Description
Grade & Purity (?)

E174130
3-ethynylazetidine hydrochloride
- ≥97%
| Pricing Close

: 3-(Benzyloxy)-4-fluorobenzaldehyde
Cas Number: 103438-91-1

Formula: C₁₄H₁₁FO₂

Molecular weight: 230.2

Synonyms: 3-(Benzyloxy)-4-fluorobenzaldehyde|103438-91-1|3-benzyloxy-4-fluorobenzaldehyde|4-fluoro-3-phenylmet...

SMILES: C1=CC=C(C=C1)COC2=C(C=CC(=C2)C=O)F

InChIKey: SJTDGEBYNOHSTC-UHFFFAOYSA-N

InChI: InChI=1S/C14H11FO2/c15-13-7-6-12(9-16)8-14(13)17-10-11-4-2-1-3-5-11/h1-9H,10H2

Product No.
Description
Grade & Purity (?)

B178942
3-(Benzyloxy)-4-fluorobenzaldehyde
- ≥96%
| Pricing Close

: 3-fluoro-3-methylpyrrolidine hydrochloride
Cas Number: 1427380-91-3

Formula: C₅H₁₁ClFN

Molecular weight: 139.6

Synonyms: 3-fluoro-3-methylpyrrolidine hydrochloride|1427380-91-3|3-Fluoro-3-methylpyrrolidine HCl|3-fluoro-3-...

SMILES: CC1(CCNC1)F.Cl

InChIKey: LDRLKNIQCYFPMH-UHFFFAOYSA-N

InChI: InChI=1S/C5H10FN.ClH/c1-5(6)2-3-7-4-5;/h7H,2-4H2,1H3;1H

Product No.
Description
Grade & Purity (?)

F174153
3-fluoro-3-methylpyrrolidine hydrochloride
- ≥97%
| Pricing Close

: 3-(hydroxymethyl)piperidin-3-ol hydrochloride
Cas Number: 848069-91-0

Formula: C₆H₁₃NO₂

Molecular weight: 131.17

Synonyms: 3-(Hydroxymethyl)piperidin-3-ol|848069-91-0|3-(hydroxymethyl)-3-piperidinol|3-hydroxymethylpiperidin...

SMILES: C1CC(CNC1)(CO)O

InChIKey: RNGTVNNILWIEBH-UHFFFAOYSA-N

InChI: InChI=1S/C6H13NO2/c8-5-6(9)2-1-3-7-4-6/h7-9H,1-5H2

Product No.
Description
Grade & Purity (?)

H177612
3-(hydroxymethyl)piperidin-3-ol hydrochloride
- ≥97%
| Pricing Close

: 16-Hentriacontanone
Cas Number: 502-73-8

Formula: C₃₁H₆₂O

Molecular weight: 450.84

Synonyms: DTXSID00198239 | UNII-GR7I8IC3NO | Palmitone | D90862 | Q27106854 | Hentricontan-16-one | NSC 953 | ...

SMILES: CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC

InChIKey: UNRFDARCMOHDBJ-UHFFFAOYSA-N

InChI: InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3

Product No.
Description
Grade & Purity (?)

H156946
16-Hentriacontanone
- ≥95%(GC)
| Pricing Close

: (3-Bromobenzoyl)pyrrolidine
Cas Number: 346721-91-3

Formula: C₁₁H₁₂BrNO

Molecular weight: 254.1

Synonyms: (3-BROMOBENZOYL)PYRROLIDINE|346721-91-3|(3-bromophenyl)(pyrrolidin-1-yl)methanone|1-(3-bromobenzoyl)...

SMILES: C1CCN(C1)C(=O)C2=CC(=CC=C2)Br

InChIKey: ZFWDUMGAQDJYAE-UHFFFAOYSA-N

InChI: InChI=1S/C11H12BrNO/c12-10-5-3-4-9(8-10)11(14)13-6-1-2-7-13/h3-5,8H,1-2,6-7H2

Product No.
Description
Grade & Purity (?)

B183891
(3-Bromobenzoyl)pyrrolidine
- ≥96%
| Pricing Close

: 3-cyclohexyl-2-oxopropanoic acid
Cas Number: 5962-91-4

Formula: C₉H₁₄O₃

Molecular weight: 170.21

Synonyms: 3-cyclohexyl-2-oxopropanoic acid | 5962-91-4 | 3-Cyclohexylpyruvic acid | SCHEMBL3871573 | 3-cyclohe...

SMILES: C1CCC(CC1)CC(=O)C(=O)O

InChIKey: ZKQKNYMCJALGFK-UHFFFAOYSA-N

InChI: InChI=1S/C9H14O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,11,12)

Product No.
Description
Grade & Purity (?)

C634185
3-cyclohexyl-2-oxopropanoic acid
- ≥97%
| Pricing Close

: 2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Cas Number: 91417-91-3

Formula: C₆H₇N₂Cl

Molecular weight: 142.59

Synonyms: 2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole | 91417-91-3 | TQR0551 | MFCD01563751 | STK524370 | ...

SMILES: C1CC2=NC(=CN2C1)Cl

InChIKey: DIEMOTDSVHBHCR-UHFFFAOYSA-N

InChI: InChI=1S/C6H7ClN2/c7-5-4-9-3-1-2-6(9)8-5/h4H,1-3H2

Product No.
Description
Grade & Purity (?)

C635099
2-chloro-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
- ≥97%
| Pricing Close