Basic information
- CAS
97164-96-0- Standard SMILES
O=C(O)C1CCCNCC1- InChIKey
BCVGGQNBSCMMPV-UHFFFAOYSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Names & identifiers
- Preferred name
- Azepane-4-carboxylic acid
- IUPAC
- azepane-4-carboxylic acid
- English name
- 1H-Azepine-4-carboxylicacid,hexahydro-(9CI)
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
AZEPANE-4-CARBOXYLIC ACID97164-96-0HEXAHYDRO-1H-AZEPINE-4-CARBOXYLIC ACIDMFCD170159091H-AZEPINE-4-CARBOXYLIC ACID, HEXAHYDRO-SCHEMBL444522AZEPANE-4-CARBOXYLICACIDDTXSID00602902Perhydro-azepine-4-carboxylic acidSCHEMBL11346359XDA16496AKOS006358087
Show more names
Hexahydro-1H-azepine-4-ca...1H-Azepine-4-carboxylicacid,hexahydro-(9CI)
PB15253AS-33499SY097613CS-0049915EN300-814373F465237
Database identifiers
- CAS
97164-96-0- PubChem CID
- 20139928
- DTXSID
DTXSID00602902
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 280.9 · 280.9±33.0 °C(Predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- pka
- 4.43 · 4.43±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers33 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
Related reactions
2 records
Compound notes
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