Basic information
- CAS
62783-49-7- Standard SMILES
Cc1cccc(CN(C)N=O)c1- InChIKey
LHRLXHMVKNESOE-UHFFFAOYSA-N- Molecular formula
- C9H12N2O
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.09496301
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-Methyl-N-nitroso-(3-methylphenyl)methylamine
- IUPAC
- N-methyl-N-[(3-methylphenyl)methyl]nitrous amide
- English name
- N-methyl-N-nitroso-(3-methylphenyl)methylamine
- Molecular formula
- C9H12N2O
- Molecular weight
- 164.2
Names & synonyms
62783-49-7N-Methyl-N-nitroso-(3-methylphenyl)methylamineBENZYLAMINE, N,m-DIMETHYL-N-NITROSO-DTXSID80211854N-methyl-N-(3-methylbenzyl)nitrosamineRefChem:1637603-MMBNADTXCID10134345N-Nitroso-N-(3-methylbenzyl)methylamineY9VT8D9JZ7CCRIS 2563(3-Methylbenzyl)methylnitrosamine
Show more names
N-methyl-N-(3-methylbenzyl)nitrous amideN-Nitroso-3,N-dimethylbenzenemethanamineBenzenemethanamine, N,3-dimethyl-N-nitroso-
N-methyl-N-[(3-methylphenyl)methyl]nitrous amideN-Nitroso-N-(3-methylbenzyl)-methylamin [German]N-Nitroso-N-(3-methylbenzyl)-methylaminUNII-Y9VT8D9JZ7CHEMBL140174MFCD01732501N-Nitroso-N-(3-methylbenzyl)-methylamineSY375533
Database identifiers
- CAS
62783-49-7- PubChem CID
- 44160
- DTXSID
DTXSID80211854- ChEMBL
CHEMBL140174- UNII
- Y9VT8D9JZ7
- Nikkaji
- J66.051E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
LogP1.96
Physicochemical properties
- Boiling point
- 291.67 °C · 291.67°C (rough estimate)
- Density
- 1.1062 · 1.1062 (rough estimate)
- refractive index
- 1.5373 · 1.5373 (estimate)
- FDA UNII
- 9 VT8D9JZ7 · Y9VT8D9JZ7
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 600 mg/kg ZKKOBW 88,231,77
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
- Toxicity
- LD50 orl-rat: 600 mg/kg ZKKOBW 88,231,77
Chemistry & industry
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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