Basic information
- CAS
145513-91-3- Standard SMILES
O=C([O-])[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1- InChIKey
CQYBNXGHMBNGCG-BIIVOSGPSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Overview
See also: (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid (preferred).
Names & identifiers
- Preferred name
- CID 7129537
- IUPAC
- (2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate
- English name
- (2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
- Molecular formula
- C9H15NO2
- Molecular weight
- 169.22
Names & synonyms
Perindopril Impurity 32Perindopril Related Compound 2D-Octahydroindole-2-carboxylic acid(2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid(2R,3aS,7aRS)-Octahydro-1H-indole-2-carboxylic Acid(2R,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid·HCl1H-Indole-2-carboxylic acid, octahydro-, (2R,3aS,7aS)-1H-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)
Database identifiers
- CAS
145513-91-3- PubChem CID
- 7129537
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
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
Chemistry & industry
Suppliers56 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
吉尔生化（玉门）有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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