2,2,6,6-Tetramethyl-1-nitrosopiperidine
Basic information
- CAS
6130-93-4- Standard SMILES
CC1(C)CCCC(C)(C)N1N=O- InChIKey
ZBLNPMXAFVVOQK-UHFFFAOYSA-N- Molecular formula
- C9H18N2O
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.1419132
Overview
non-carcinogenic derivative of carcinogen N-nitrosopiperidine
Names & identifiers
- Preferred name
- 2,2,6,6-Tetramethyl-1-nitrosopiperidine
- IUPAC
- 2,2,6,6-tetramethyl-1-nitrosopiperidine
- English name
- 2,2',6,6'-tetramethyl-N-nitrosopiperidine
- Molecular formula
- C9H18N2O
- Molecular weight
- 170.25
Names & synonyms
6130-93-42,2,6,6-Tetramethyl-1-nitrosopiperidine2,2',6,6'-Tetramethyl-N-nitrosopiperidine2,2,6,6-Tetramethyl-N-nitrosopiperidineDTXSID50879627RefChem:440774DTXCID5010176351-Nitroso-2,2,6,6-tetramethylpiperidine2,2,6,6-TetramethylnitrosopiperidinePIPERIDINE, 1-NITROSO-2,2,6,6-TETRAMETHYL-BRN 0119935Piperidine, 2,2,6,6-tetramethyl-1-nitroso-
Show more names
Ceftobiprole Nitrosamine Impurity 1N-Nitroso 2,2,6,6-Tetramethylpiperidine2,2'-(ethane-1,2-diylbis(nitrosoazanediyl))diacetic acidChenodeoxycholic Acid Impurity 18(Allochenodeoxycholic Acid)
5-20-04-00252 (Beilstein Handbook Reference)CHEMBL165516SCHEMBL20504145ZBLNPMXAFVVOQK-UHFFFAOYSA-NMFCD01700391,6,6'-Tetramethyl-N-nitrosopiperidine"N-Nitroso-2,2,6,6-tetramethylpiperidineSY519799
Database identifiers
- CAS
6130-93-4- PubChem CID
- 22506
- DTXSID
DTXSID50879627- ChEMBL
CHEMBL165516- Nikkaji
- J2.240C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
SpringerMaterials PropertiesChemical shift
LogP2.49
Vapor Pressure0.00702 [mmHg]
Physicochemical properties
- Boiling point
- 299.91 °C · 299.91°C (rough estimate)
- Density
- 1.0114 · 1.0114 (rough estimate)
- refractive index
- 1.479 · 1.4790 (estimate)
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesNon-carcinogenic derivative of carcinogen N-nitrosopiperidine. [ChemIDplus]
Applications
Uses2,2'',6,6''-Tetramethyl-N-nitrosopiperidine is a non-carcinogenic derivative of N-nitrosopiperidine.
Suppliers
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Related reactions
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Compound notes
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