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CAS 181289-39-4 manufacturers and suppliers on PharmaCompass

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CAS 181289-39-4
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 Weight 183.25 g/mol
Molecular Formula C10H17NO2
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass183.125928785 g/mol
Monoisotopic Mass183.125928785 g/mol
Topological Polar Surface Area50.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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181289-33-8
Pregabalin
Chynops Pharma, a company certified with ISO 9001:2015, is situated in Ahmedabad, India. We specialize in...
Chynops Pharma, a company certified with ISO 9001:2015, is situated in Ahmedabad, India. We specialize in exporting, supplying, and trading a wide range of products, including APIs, Advanced Drug Intermediates, Impurity Standards, Working Standards, KSMs, Industrial Chemicals, Specialty Chemicals, Excipients, Amino Acids, Vitamins, Minerals, Herbal Extracts, Essential Oils, Prebiotics & Probiotics, Veterinary APIs, Solvents, and more from India. Our commitment extends to providing these products to valued customers in both the domestic and global markets.
Chynops Pharma

Indo Livestock 2024

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3886-69-9
Pregabalin
Chynops Pharma, a company certified with ISO 9001:2015, is situated in Ahmedabad, India. We specialize in...
Chynops Pharma, a company certified with ISO 9001:2015, is situated in Ahmedabad, India. We specialize in exporting, supplying, and trading a wide range of products, including APIs, Advanced Drug Intermediates, Impurity Standards, Working Standards, KSMs, Industrial Chemicals, Specialty Chemicals, Excipients, Amino Acids, Vitamins, Minerals, Herbal Extracts, Essential Oils, Prebiotics & Probiotics, Veterinary APIs, Solvents, and more from India. Our commitment extends to providing these products to valued customers in both the domestic and global markets.
Chynops Pharma

Indo Livestock 2024

Not Confirmed

envelop Contact Supplier
Flag India
Digital Content Digital Content
181289-15-6
Pregabalin
Chynops Pharma, a company certified with ISO 9001:2015, is situated in Ahmedabad, India. We specialize in...
Chynops Pharma, a company certified with ISO 9001:2015, is situated in Ahmedabad, India. We specialize in exporting, supplying, and trading a wide range of products, including APIs, Advanced Drug Intermediates, Impurity Standards, Working Standards, KSMs, Industrial Chemicals, Specialty Chemicals, Excipients, Amino Acids, Vitamins, Minerals, Herbal Extracts, Essential Oils, Prebiotics & Probiotics, Veterinary APIs, Solvents, and more from India. Our commitment extends to providing these products to valued customers in both the domestic and global markets.
Chynops Pharma

Indo Livestock 2024

Not Confirmed

envelop Contact Supplier
Flag India
Digital Content Digital Content
590-86-3
Pregabalin
Chynops Pharma, a company certified with ISO 9001:2015, is situated in Ahmedabad, India. We specialize in...
Chynops Pharma, a company certified with ISO 9001:2015, is situated in Ahmedabad, India. We specialize in exporting, supplying, and trading a wide range of products, including APIs, Advanced Drug Intermediates, Impurity Standards, Working Standards, KSMs, Industrial Chemicals, Specialty Chemicals, Excipients, Amino Acids, Vitamins, Minerals, Herbal Extracts, Essential Oils, Prebiotics & Probiotics, Veterinary APIs, Solvents, and more from India. Our commitment extends to providing these products to valued customers in both the domestic and global markets.
Chynops Pharma

Indo Livestock 2024

Not Confirmed

envelop Contact Supplier
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