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(2s,3as,7as)-Octahydro-1h-Indole-2-Carboxylic Acid

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(2S,3As,7As)-Octahydro-1H-Indole-2-Carboxylic Acid / CAS : 80875-98-5

Appearance Whitish or yellowish crystalline powder UN 0.0
HS 29339900 DG Class 0.0
Synonyms Octahydro-Indole-2-Carboxylic Acid; (2S,3As,7As)-Octahydro-2-Indolecarboxylicacid; [2S-(2A,3Ab,7Ab)]-Octahydro-1H-Indole-2-Carboxylic Acid
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Properties

Summary

Formula
C9H15NO2
Molecular Mass
169.22100
Exact Mass
169.11000
PSA
49.33000
Logp
1.32050
IUPAC
(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
SMILES
C1CCC2C(C1)CC(N2)C(=O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
275-277°C
Density
1.135 g/cm3
Boiling Point
318.6ºC
Flash Point
146.5ºC
Appearance
Whitish or yellowish crystalline powder
Acidity and Basicity
acidness

Export information

HS Code
29339900
Export Rebate
13%
UN No.
0.0
DG-Class
0.0
Risk Code
R20/21/22; R36/37/38
Safety Label
Xn; Xi

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