Basic information
- CAS
34962-90-8- Standard SMILES
CC1CCCCN1N=O- InChIKey
SSPVLHFEMWOTGD-UHFFFAOYSA-N- Molecular formula
- C6H12N2O
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.09496301
Names & identifiers
- Preferred name
- N-Nitroso-2-methylpiperidine
- IUPAC
- 2-methyl-1-nitrosopiperidine
- English name
- 2-Methyl-N-nitrosopiperidine
- Molecular formula
- C6H12N2O
- Molecular weight
- 128.17
Names & synonyms
2-Methyl-1-nitrosopiperidineN-Nitroso-2-methylpiperidineDTXSID208601281Nitroso2pipecoline2Pipecoline, 1nitroso2MethylnitrosopiperidineRefChem:830826Piperidine, 2methylNnitrosoPiperidine, 2methyl1nitrosoDTXCID20209073Piperidine, 2methyl1nitroso (9CI)7247-89-4
Show more names
Nsc516241-Nitroso-2-methylpiperidine
2-MethylnitrosopiperidinePiperidine, 2-methyl-N-nitroso-1-Nitroso-2-pipecoline1-NitrosopipecolinePiperidine, 2-methyl-1-nitroso-2-PIPECOLINE, 1-NITROSO-2-METHYL-N-NITROSOPIPERIDINE2-Methyl-1-nitroso-piperidine
Database identifiers
- CAS
34962-90-8、7247-89-4- PubChem CID
- 23677
- DTXSID
DTXSID20860128- ChEMBL
CHEMBL165747- UNII
- QRP7SFD3QQ
- Nikkaji
- J2.257H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
LogP0.71
Vapor Pressure0.06 [mmHg]
Physicochemical properties
- Melting point
- 142 °C · 142 °C (decomp)
- Boiling point
- 237.61 °C · 237.61°C (rough estimate)
- Density
- 1.0754 · 1.0754 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
- pka
- -3.11 · -3.11±0.40(Predicted)
- EWG's Food Scores
- 1 · 1
- 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.
Safety data
- Toxicity
- sln-dmg-orl 5 mmol/L/24H MUREAV 67,27,79
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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