1,3-Cyclohexadiene-1-carboxylicacid,5-amino-,(5S)-(9CI)

Modify Date: 2025-09-10 18:47:17

1,3-Cyclohexadiene-1-carboxylicacid,5-amino-,(5S)-(9CI) Structure
1,3-Cyclohexadiene-1-carboxylicacid,5-amino-,(5S)-(9CI) structure
Common Name 1,3-Cyclohexadiene-1-carboxylicacid,5-amino-,(5S)-(9CI)
CAS Number 59556-29-5 Molecular Weight 139.152
Density 1.3±0.1 g/cm3 Boiling Point 304.6±42.0 °C at 760 mmHg
Molecular Formula C7H9NO2 Melting Point N/A
MSDS N/A Flash Point 138.0±27.9 °C

 Names

Name Gabaculine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 304.6±42.0 °C at 760 mmHg
Molecular Formula C7H9NO2
Molecular Weight 139.152
Flash Point 138.0±27.9 °C
Exact Mass 139.063324
LogP -0.27
Vapour Pressure 0.0±1.4 mmHg at 25°C
Index of Refraction 1.573
InChIKey KFNRJXCQEJIBER-ZCFIWIBFSA-N
SMILES NC1C=CC=C(C(=O)O)C1

 Synonyms

Gabaculine
(5S)-5-Amino-1,3-cyclohexadiene-1-carboxylic acid
1,3-Cyclohexadiene-1-carboxylic acid, 5-amino-, (5S)-
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