(2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
Basic information
- CAS
145513-91-3- Standard SMILES
O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1- InChIKey
CQYBNXGHMBNGCG-BIIVOSGPSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Names & identifiers
- Preferred name
- (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
- IUPAC
- (2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
- English name
- (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
- Molecular formula
- C9H15NO2
- Molecular weight
- 169.22
Names & synonyms
(2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid145513-91-3DTXSID00427839RefChem:206705DTXCID80378673MFCD09842285(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid1H-Indole-2-carboxylic acid, octahydro-, (2R,3aS,7aS)-1H-Indole-2-carboxylicacid,octahydro-,[2R-(2-alpha-,3a-alpha-,7a-alpha-)]-(9CI)D-Octahydroindole-2-carboxylic acid(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylatePerindopril Impurity 32
Show more names
Perindopril Impurity 32(2R,3aS,7aRS)-Octahydro-1H-indole-2-carboxylic Acid(2R,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid·HCl1H-Indole-2-carboxylicacid,octahydro-,[2R-(2-alpha-,3a-alpha...[2R-(2alpha,3aalpha,7aalpha)]-Octahydro-1H-indole-2-carboxylic acid1H-Indole-2-carboxylicacid,octahydro-,[2R-(2-α-,3a-α-,7a-α-)]-(9CI)
5DZ2PB3QW8Perindopril Related Compound 2SCHEMBL14052951CQYBNXGHMBNGCG-BIIVOSGPSA-ND-Octahydroindole-2-carboxylicacidAKOS006327095DS-6159SY116352
Database identifiers
- CAS
145513-91-3- PubChem CID
- 7129538
- DTXSID
DTXSID00427839- UNII
- 5DZ2PB3QW8
- Nikkaji
- J532.172G
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 318.6 · 318.6±25.0 °C(Predicted)
- Density
- 1.135 · 1.135
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 2.47 · 2.47±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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