Basic information
- CAS
6238-69-3- Standard SMILES
O=NN1CCC(C(=O)O)CC1- InChIKey
UZAWWIOCEBCUPC-UHFFFAOYSA-N- Molecular formula
- C6H10N2O3
- Average molar mass
- 158.16 g/mol
- Monoisotopic mass
- 158.06914219
Names & identifiers
- Preferred name
- N-Nitrosoisonipecotic acid
- IUPAC
- 1-nitrosopiperidine-4-carboxylic acid
- English name
- Nitrosoisonipecoticacid
- Molecular formula
- C6H10N2O3
- Molecular weight
- 158.16
Names & synonyms
6238-69-3N-Nitrosoisonipecotic acidNitrosoisonipecotic acidIsonipecotic acid, 1-nitroso-4-Carboxy-N-nitrosopiperidine4-Piperidinecarboxylic acid, 1-nitroso-1-Nitroso-4-piperidinecarboxylic acidC15799O03YBRN 0137256DTXSID60977941NITROSOISONIPECOTIC ACID, N-5-22-01-00252 (Beilstein Handbook Reference)
Show more names
NitrosoisonipecoticacidN-NITROSOISONIPECOTICACIDISONIPECOTICACID,1-NITROSO-4-CARBOXY-1-NITROSOPIPERDINE4-CARBOXY-1-NITROSOPIPERIDINERevefenacin Nitrosamine Impurity 1
4CarboxyNnitrosopiperidineRefChem:830854Isonipecotic acid, 1nitrosoDTXCID2014052734Piperidinecarboxylic acid, 1nitroso1-nitrosopiperidine-4-carboxylic acidN-Nitroso Isonipecoticacid67659-30-7
Database identifiers
- CAS
6238-69-3- PubChem CID
- 80387
- DTXSID
DTXSID60977941- ChEMBL
CHEMBL168012- UNII
- C15799O03Y
- Nikkaji
- J13.704I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
Physicochemical properties
- Melting point
- 104 · 104-106 °C
- Boiling point
- 283.22 °C · 283.22°C (rough estimate)
- Density
- 1.3289 · 1.3289 (rough estimate)
- refractive index
- 1.501 · 1.5010 (estimate)
- pka
- 4.3 · 4.30±0.20(Predicted)
- FDA UNII
- 15799 O03Y · C15799O03Y
- Toxicity
- 5 mmol/L · mma-sat 5 mmol/L MUREAV 57,85,78
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee NITROSAMINES.
Safety data
- Toxicity
- mma-sat 5 mmol/L MUREAV 57,85,78
Chemistry & industry
Suppliers13 total
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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