Basic information
- CAS
28538-70-7- Standard SMILES
CCCCCCN(C)N=O- InChIKey
IHGPEUQKUIKKIR-UHFFFAOYSA-N- Molecular formula
- C7H16N2O
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.12626314
Overview
N-Nitrosomethyl-n-hexylamine can cause cancer according to an independent committee of scientific and health experts.
Names & identifiers
- Preferred name
- N-Methyl-N-nitroso-1-hexanamine
- IUPAC
- N-hexyl-N-methylnitrous amide
- English name
- nitrosomethyl-N-hexylamine
- Molecular weight
- 0
Names & synonyms
Nitrosomethyl-N-hexylamine28538-70-71-Hexanamine, N-methyl-N-nitroso-4VTR512J6GN-METHYL-N-NITROSO-1-HEXANAMINERefChem:830833N-hexyl-N-methylnitrous amideN-Nitrosomethyl-N-hexylamineN-nitroso-N-methylhexylamineN-Methyl-N-nitrosohexylamineCCRIS 3060Nitroso-n-hexylmethylamine
Show more names
Methylhexylnitrosamine
BRN 2429386HEXYLAMINE, N-METHYL-N-NITROSO-UNII-4VTR512J6GDTXSID20951227AKOS006276820Q27893902
Database identifiers
- CAS
28538-70-7- PubChem CID
- 34273
- DTXSID
DTXSID20951227- UNII
- 4VTR512J6G
- Nikkaji
- J77.686F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 85.7
Physicochemical properties
- Boiling point
- 262.84 °C · 262.84°C (rough estimate)
- Density
- 1.0176 · 1.0176 (rough estimate)
- refractive index
- 1.458 · 1.4580 (estimate)
- FDA UNII
- 4 VTR512J6G · 4VTR512J6G
- Toxicity
- 10 mg/plate · mma-sat 10 mg/plate TCMUE9 1,13,84
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
Regulatory InformationHazard Traits - Carcinogenicity
Safety data
- Toxicity
- mma-sat 10 mg/plate TCMUE9 1,13,84
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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