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80828-13-3

80828-13-3 Structure

80828-13-3 Structure
IdentificationMore
[Name]

Octahydro-1H-indole-2-carboxylic acid
[CAS]

80828-13-3
[Synonyms]

(2S,3ALPHA-S,7ALPHA-S)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
(2S,3AS,7AS)-2-CARBOXYOCTAHYDROINDOLE
(2S,3aS,7aS)-2-Carboxyperhydroindole
(2S,3AS,7AS)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
H-OIC-OH
L-2-carboxyoctahydroindole
L-OCTAHYDROINDOLE-2-CARBOXYLIC ACID
OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
OCTAHYDRO-INDOLE-2-CARBOXYLIC ACID
(S) OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
Octahydro-1H-2-carboxylic acid
OCTAHYDRO INDOLR-2-CARBOXYLIC ACID
(2S,3AR,7S)-Octahydro-Indole-2-Carboxylicacid
[2S-(2a,3aa,7ab)]-Octahydro-1H-indole-2-carboxylic Acid
L-(2S,3aR,7aS)-Octahydroindole-2-carboxylic Acid
1H-Indole-2-carboxylicacid,octahydro-,(2S,3aR,7aS)-(9CI)
1H-Indole-2-carboxylicacid,octahydro-,(2-alpha-,3a-bta-,7a-bta-)-(9CI)
(2S,3SR,7AS)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
DL-Octahydro-1H-Indole-2-Carboxylic Acid
[2S-(2a,3aa,7a)]-Octahydro-1H-indole-2-carboxylic Acid
[Molecular Formula]

C9H15NO2
[MDL Number]

MFCD00171406
[Molecular Weight]

169.22
[MOL File]

80828-13-3.mol
Chemical PropertiesBack Directory
[Appearance]

White Crystalline Solid
[Melting point ]

233-234 °C (decomp)(Solv: 1,4-dioxane (123-91-1); water (7732-18-5))
[Boiling point ]

318.6±25.0 °C(Predicted)
[density ]

1.135±0.06 g/cm3(Predicted)
[storage temp. ]

-15°C
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

2.47±0.20(Predicted)
[color ]

White to Off-White
[Usage]

Trandolapril intermediate
[InChI]

InChI=1/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-/s3
[InChIKey]

CQYBNXGHMBNGCG-VTCOHLDGNA-N
[SMILES]

N1[C@@]2([H])[C@]([H])(CCCC2)C[C@@H]1C(O)=O |&1:1,3,10,r|
[CAS DataBase Reference]

80828-13-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P362+P364-P332+P313
Hazard InformationBack Directory
[Chemical Properties]

White Crystalline Solid
[Uses]

(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic Acid is a reactant in the preparation of Perindoprilat (P287530), an angiotensin-converting enzyme (ACE) inhibitor. Antihypertensive.
[Uses]

Trandolapril intermediate
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