Basic information
- CAS
937-40-6- Standard SMILES
CN(Cc1ccccc1)N=O- InChIKey
NGXUJKBJBFLCAR-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931295
Names & identifiers
- Preferred name
- N-methyl-N-benzylnitrosamine
- IUPAC
- N-benzyl-N-methylnitrous amide
- English name
- BENZYL METHYL NITROSAMINE
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
937-40-6N-methyl-n-benzylnitrosamineMethylbenzylnitrosamineBenzyl(methyl)nitrosamineN-NitrosomethylbenzylamineBenzylamine, N-methyl-N-nitroso-H81CGI9K6ZN-methyl N-benzyl nitrosamineDTXSID3041081N-METHYL-N-BENZYLNITROSAMINE-RefChem:830624DTXCID1021081
Show more names
N-Nitroso(benzyl)methylaminenitrosobenzylmethylamineBENZYL METHYL NITROSAMINEMethyl(benzyl)nitrosamine
benzyl(methyl)nitrosoamineN-Methyl-N-nitrosobenzylamineN-Nitroso-N-methylbenzylamineN-NitrosobenzylmethylamineN-benzyl-N-methylnitrous amideBenzenemethanamine, N-methyl-N-nitroso-Methyl-benzyl-nitrosoaminN-Methyl-N-nitroso-benzenemethanamine
Database identifiers
- CAS
937-40-6- PubChem CID
- 13643
- DTXSID
DTXSID3041081- ChEMBL
CHEMBL106823- UNII
- H81CGI9K6Z
- EC Number
- 857-118-8
- Nikkaji
- J3.351K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 271.72 °C · 271.72°C (rough estimate)
- Density
- 1.1392 · 1.1392 (rough estimate)
- refractive index
- 1.618 · 1.6180 (estimate)
- storage temp.
- Refrigerator, Under inert atmosphere
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Oil
- pka
- -4.77 · -4.77±0.70(Predicted)
- color
- Colourless to Pale Yellow
- Water Solubility
- 4.505 g/L · 4.505g/L(24 ºC)
- Henry's Law Constant
- 7.9 · 7.9×10-1 mol/(m3Pa) at 25℃, Mirvish et al. (1976)
- FDA UNII
- 81 CGI9K6Z · H81CGI9K6Z
- EPA Substance Registry System
- N-Methyl-N-nitrosobenzylamine (937-40-6)
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300-H350
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- Hazard statements
- H300-H350
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
UsesN-Nitroso-N-methylbenzylamine induced neoplasia in mice. Mice treated intragastrically with N-Nitroso-N-methylbenzylamine developed multiple tumours. Mice carrying one inactivated Fhit allele (Fhit +/- mice) are highly susceptible to tumor induction by N-nitrosomethylbenzylamine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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