Ggc Chemicals And Pharmaceuticals

Also known as: 181289-39-4, Schembl261461, Zinc34049738, Ethyl (3s)-3-cyano-5-methylhexanoate, Ds-019338

Molecular Formula

C₁₀H₁₇NO₂

Molecular Weight

183.25 g/mol

InChI Key

WBQBMWWPFBMMOD-VIFPVBQESA-N

1 2D Structure

CAS 181289-39-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl (3S)-3-cyano-5-methylhexanoate

2.1.2 InChI

InChI=1S/C10H17NO2/c1-4-13-10(12)6-9(7-11)5-8(2)3/h8-9H,4-6H2,1-3H3/t9-/m0/s1

2.1.3 InChI Key

WBQBMWWPFBMMOD-VIFPVBQESA-N

2.1.4 Canonical SMILES

CCOC(=O)CC(CC(C)C)C#N

2.1.5 Isomeric SMILES

CCOC(=O)C[C@H](CC(C)C)C#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 181289-39-4

2. Schembl261461

3. Zinc34049738

4. Ethyl (3s)-3-cyano-5-methylhexanoate

5. Ds-019338

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₇NO₂
Molecular Weight	183.25 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	183.125928785 g/mol
Monoisotopic Mass	183.125928785 g/mol
Topological Polar Surface Area	50.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	202
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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(R)-(-)-3-(Carbamoymethyl)-5-methylhexanoic acid

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CAS Number

181289-15-6

End Use API

Pregabalin

About the Company

With over twenty years of experience in chemicals and pharmaceuticals industries, our team boasts unparal...

With over twenty years of experience in chemicals and pharmaceuticals industries, our team boasts unparalleled expertise in fine chemicals, advanced pharmaceutical intermediates, and various process industries. Renowned for our reputation, we provide top-tier solutions to outsourcing needs through our own product manufacturing and CDMO services. Our facility holds a level 4 country approval (US, Canada, United Kingdom, European Union, Japan, Switzerland, Australia, Cuba, Brazil, & Mexico), featuring a multi-purpose plant with a capacity exceeding 350KL (API and in-house KSM), with the potential for doubling capacity within the same premises.

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