4-cyanohexanoic acid

Modify Date: 2025-09-20 19:27:24

4-cyanohexanoic acid Structure
4-cyanohexanoic acid structure
 Common Name 4-cyanohexanoic acid
CAS Number 95577-45-0 Molecular Weight 141.16800
Density N/A Boiling Point N/A
Molecular Formula C7H11NO2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-cyanohexanoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C7H11NO2
Molecular Weight 141.16800
Exact Mass 141.07900
PSA 61.09000
LogP 1.40098
InChIKey POEBUGOSTMIOMX-UHFFFAOYSA-N
SMILES CCC(C#N)CCC(=O)O

 Synthetic Route

Sodium cyanide structure

Sodium cyanide

CAS#:143-33-9

Hexanal structure

Hexanal

CAS#:66-25-1

~18%

5-Cyanohexanoic acid structure

5-Cyanohexanoic acid

CAS#:78749-39-0

4-cyanohexanoic acid Structure

4-cyanohexanoic acid

CAS#:95577-45-0

Detail
Literature: Troyanskii, E. I.; Mizintsev, V. V.; Molokanov, A. N.; Ogibin, Yu. N.; Nikishin, G. I. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1986 , vol. 35, # 12 p. 2499 - 2506 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1986 , # 12 p. 2725 - 2734
Sodium cyanide structure

Sodium cyanide

CAS#:143-33-9

Hexanal structure

Hexanal

CAS#:66-25-1

~%

5-Cyanohexanoic acid structure

5-Cyanohexanoic acid

CAS#:78749-39-0

4-cyanohexanoic acid Structure

4-cyanohexanoic acid

CAS#:95577-45-0

Literature: Nikishin, Gennady I.; Troyansky, Emmanuil I.; Misintsev, Vasily V.; Molokanov, Alexander N.; Ogibin, Yuri N. Tetrahedron Letters, 1986 , vol. 27, # 35 p. 4215 - 4216
(R)-2-hydroxyheptanenitrile structure

(R)-2-hydroxyhe...

CAS#:52358-06-2

~13%

4-cyanohexanoic acid Structure

4-cyanohexanoic acid

CAS#:95577-45-0

1-Hexanoic acid structure

1-Hexanoic acid

CAS#:142-62-1

Literature: Ogibin, Yu.N.; Makhova, I.V.; Gorozhankin, S.K.; Nikishin, G.I. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1984 , vol. 33, # 10 p. 2099 - 2104 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1984 , # 10 p. 2300 - 2305
Hexanal structure

Hexanal

CAS#:66-25-1

~%

4-cyanohexanoic acid Structure

4-cyanohexanoic acid

CAS#:95577-45-0

Literature: Ogibin, Yu.N.; Makhova, I.V.; Gorozhankin, S.K.; Nikishin, G.I. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1984 , vol. 33, # 10 p. 2099 - 2104 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1984 , # 10 p. 2300 - 2305
(R)-2-hydroxyheptanenitrile structure

(R)-2-hydroxyhe...

CAS#:52358-06-2

~44%

5-Cyanohexanoic acid structure

5-Cyanohexanoic acid

CAS#:78749-39-0

4-cyanohexanoic acid Structure

4-cyanohexanoic acid

CAS#:95577-45-0

1-Hexanoic acid structure

1-Hexanoic acid

CAS#:142-62-1

Literature: Ogibin, Yu.N.; Makhova, I.V.; Gorozhankin, S.K.; Nikishin, G.I. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1984 , vol. 33, # 10 p. 2099 - 2104 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1984 , # 10 p. 2300 - 2305

 Synonyms

Hexanoic acid,4-cyano
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