Basic information
- CAS
55557-01-2- Standard SMILES
O=NN1CCC=C(C(=O)O)C1- InChIKey
XAZBVEFQMFZFEZ-UHFFFAOYSA-N- Molecular formula
- C6H8N2O3
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.05349212
Overview
N-Nitrosoguvacine is a citraconoyl group.
Names & identifiers
- Preferred name
- N-Nitrosoguvacine
- IUPAC
- 1-nitroso-3,6-dihydro-2H-pyridine-5-carboxylic acid
- English name
- N-nitrosoguvacine
- Molecular formula
- C6H8N2O3
- Molecular weight
- 156.14
Names & synonyms
N-NITROSOGUVACINE55557-01-21,2,5,6-Tetrahydro-1-nitroso-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-nitroso-DTXSID9020411159T7S79G8ARefChem:164005DTXCID901266021-nitroso-3,6-dihydro-2H-pyridine-5-carboxylic acid1-nitroso-1,2,5,6-tetrahydropyridine-3-carboxylic acidBRN 0131724Nitrosoguvacine; 1,2,5,6-Tetrahydro-1-nitroso-3-pyridinecarboxylic Acid;
Show more names
Nitrosoguvacine1-Nitroso-1,2,5,6-tetrahydro-3-pyridinecarboxylic acid
Nitrosoguvacine, N-SCHEMBL30931154CHEBI:82511XAZBVEFQMFZFEZ-UHFFFAOYSA-NMSK170175AKOS006277643DB-231562C19481
Database identifiers
- CAS
55557-01-2- PubChem CID
- 62102
- DTXSID
DTXSID90204111- ChEBI
CHEBI:82511
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
Physicochemical properties
- Melting point
- 121 °C · >121°C (dec.)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- color
- Pale Yellow to Pale Beige
- Stability
- Light sensitive
- EWG's Food Scores
- 1 · 1
- IARC
- 3 · 3 (Vol. Sup 7, 85) 2004
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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.
Toxicology
Carcinogen Classification
N-Nitrosoguvacine
Group 3: Not classifiable as to its carcinogenicity to humans
Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)
2004
2003
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesHas been found in the saliva of betel-quid chewers; [IARC]
Applications
UsesN-Nitrosoguvacine is a carcinogenic agent shown as a causative agent for oral cancer. An causative alkaloid agent present in the Areca nut.
Suppliers4 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Additional notes
DefinitionChEBI: N-Nitrosoguvacine is a citraconoyl group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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