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1-Isobutoxycarbonyl-2-isobutoxy-1,2-dihydroquinoline - 98%, high purity , CAS No.38428-14-7

COA

Grade & Purity:

≥98%

Cas Number: 38428-14-7
Molecular Weight: 303.4
Beilstein Registry Number: 1543065
EC Number: 253-925-9
MDL number: MFCD00006702
PubChem CID: 100621
PubChem SID: 488187214

In stock

Item Number

I109333

Grouped product items
SKU	Size	Availability	Price
I109333-1g	1g	3	$17.90
I109333-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$67.90
I109333-25g	25g	5	$258.90

Basic Description

Synonyms	3C95768C-C28C-4AF9-A119-01AC8F0B963B \| DIMETHYLAMINE, (ANHYDROUS) \| Isobutyl 1,2-dihydro-2-isobutoxy-1-quinolinecarboxylate, 99% \| AKOS025243294 \| EINECS 253-925-9 \| AKOS016843096 \| 2-Isobutoxy-1-(isobutoxycarbonyl)-1,2-dihydroquinoline \| 1-Isobutoxycarbo
Specifications & Purity	≥98%
Storage Temp	Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Quinolones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Quinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hydroquinolones
Alternative Parents	Hydroquinolines Benzenoids Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroquinolone - Dihydroquinoline - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
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

Pubchem Sid	488187214
IUPAC Name	2-methylpropyl 2-(2-methylpropoxy)-2H-quinoline-1-carboxylate
INCHI	InChI=1S/C18H25NO3/c1-13(2)11-21-17-10-9-15-7-5-6-8-16(15)19(17)18(20)22-12-14(3)4/h5-10,13-14,17H,11-12H2,1-4H3
InChIKey	LPBHYOYZZIFCQT-UHFFFAOYSA-N
Smiles	CC(C)COC1C=CC2=CC=CC=C2N1C(=O)OCC(C)C
Isomeric SMILES	CC(C)COC1C=CC2=CC=CC=C2N1C(=O)OCC(C)C
WGK Germany	3
Molecular Weight	303.4
Beilstein	1543065
Reaxy-Rn	1543065
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1543065&ln=

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

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9 results found

Lot Number	Certificate Type	Date	Item
D1725102	Certificate of Analysis	Nov 15, 2024	I109333
B2429339	Certificate of Analysis	Mar 13, 2024	I109333
B2429341	Certificate of Analysis	Mar 13, 2024	I109333
B2429342	Certificate of Analysis	Mar 13, 2024	I109333
B2429340	Certificate of Analysis	Mar 13, 2024	I109333
D2225031	Certificate of Analysis	Jan 07, 2022	I109333
D2225021	Certificate of Analysis	Jan 07, 2022	I109333
A2213058	Certificate of Analysis	Dec 24, 2021	I109333
L2123126	Certificate of Analysis	Dec 24, 2021	I109333

Chemical and Physical Properties

Flash Point(°F)	235.4 °F
Flash Point(°C)	＞230°F
Boil Point(°C)	140-142°C
Molecular Weight	303.400 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	303.183 Da
Monoisotopic Mass	303.183 Da
Topological Polar Surface Area	38.800 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	392.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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