(2S,3AS,7AS)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID

CAS No.
80875-98-5
CCD No.
CCD00609559
Formula
C9 H15 N O2
MolWeight
169.223

Basic Information

Product Name: (2S,3AS,7AS)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
CAS: 80875-98-5
English Synonyms: (2S,3ALPHA-S,7ALPHA-S)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ; (2S,3AS,7AS)-2,3,3A,4,5,6,7,7A-OCTAHYDROINDOLE-2-CARBOXYLIC ACID ; L-OIC-OH ; (2S,3AS,7AS)-2-CARBOXYPERHYDROINDOLE ; L-OCTAHYDROINDOLE-2-CARBOXYLIC ACID ; H-OIC-OH ; (2S,3AS,7AS)-1-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ; (2S,3AS,7AS)-OCTAHYDROINDOLE-2-CARBOXYLIC ACID ; OCTAHYDROINDOLE-2-CARBOXYLIC ACID(2S,3AS,7AS) ; (2S,3AS,7AS)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ; (2S,3AS,7AS)-PERHYDROINDOLE-2-CARBOXYLIC ACID ; (2S,3AS,7AS)-2-CARBOXYOCTA HYDROINDOLE ; ABLOCK AB-12-4591 ; (2S,3AS,7AS)-2-CARBOXYOCTAHYDROINDOLE ; OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID ; (2S,3AS,7AS)-2-ARBOXYOCTAHYDROINDOLE
MDL Number.: MFCD07782125
H bond acceptor: 3
H bond donor: 2
Smile: C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O
InChi: InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1
InChiKey: InChIKey=CQYBNXGHMBNGCG-FXQIFTODSA-N

Property

Melting Point: 266 DEG C DEC/256~265℃
Comments: HAZARD: R 36/37/38
HAZARD: S 26-37
IRRITANT
OPTICAL ROTATION: -50 DEG (C=1 IN METHANOL)
TSCA: N
UNSPSC: 12352005

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315,H319,H335
Precautionary statements: P261,P305+P351+P338,P302+P352,P321,P405,P501A
hazard symbol: Xi
Risk Code: R:R36/37/38
Safe Code: S:S26;S37

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