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(S)-(-)-2-(α-(i-butyl)methanamine)-1H-benzimidazole - 98%, high purity , CAS No.59592-31-3

COA

Grade & Purity:

≥98%

Cas Number: 59592-31-3
Molecular Weight: 203.28
MDL number: MFCD17018753
PubChem CID: 12279761

In stock

Item Number

S281546

Grouped product items
SKU	Size	Availability	Price
S281546-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$136.90
S281546-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
S281546-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90

Discover (S)-(-)-2-(α-(i-butyl)methanamine)-1H-benzimidazole by Aladdin Scientific in 98% for only $23.90. Available - in Ligands at Aladdin Scientific. Ligands & Chiral Ligands Tags: .

Basic Description

Synonyms	(S)-1-(1H-Benzimidazol-2-yl)-3-methylbutylamine \| ZB1091 \| DTXSID00483935 \| SCHEMBL9746742 \| (1S)-1-(1H-Benzimidazol-2-yl)-3-methylbutan-1-amine \| (S)-(-)-2-(a-(i-butyl)methanamine)-1H-benzimidazole, min. 98% (S)-i-Bu-BIMAH \| MFCD17018753 \| (S)-(-)-2-(a-(
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzimidazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzimidazoles
Alternative Parents	Aralkylamines Benzenoids Imidazoles Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzimidazole - Aralkylamine - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutan-1-amine
INCHI	InChI=1S/C12H17N3/c1-8(2)7-9(13)12-14-10-5-3-4-6-11(10)15-12/h3-6,8-9H,7,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKey	NZXOCEISVOCBCD-VIFPVBQESA-N
Smiles	CC(C)CC(C1=NC2=CC=CC=C2N1)N
Isomeric SMILES	CC(C)C[C@@H](C1=NC2=CC=CC=C2N1)N
PubChem CID	12279761
Molecular Weight	203.28

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	air sensitive
Refractive Index	-0.9°
Melt Point(°C)	109-112°C
Molecular Weight	203.280 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	203.142 Da
Monoisotopic Mass	203.142 Da
Topological Polar Surface Area	54.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	205.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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