Basic information
- CAS
62783-50-0- Standard SMILES
Cc1ccc(CN(C)N=O)cc1- InChIKey
SGJYQDLYKCDHNS-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-(4-methylphenyl)methylamine
- IUPAC
- N-methyl-N-[(4-methylphenyl)methyl]nitrous amide
- English name
- N-methyl-N-nitroso-(4-methylphenyl)methylamine
- Molecular formula
- C9H12N2O
- Molecular weight
- 164.2
Names & synonyms
62783-50-0N-Methyl-N-nitroso-(4-methylphenyl)methylamineBENZYLAMINE, N,p-DIMETHYL-N-NITROSO-DTXSID40211855N-nitrosomethyl(4-methylbenzyl)amineN-methyl-N-(4-methylbenzyl)nitrosamineRefChem:1637614-MMBNADTXCID70134346N-Nitroso-N-(4-methylbenzyl)methylamineN-methyl-N-[(4-methylphenyl)methyl]nitrous amideN-Nitroso-N-(4-methylbenzyl)-methylamin
Show more names
N-nitroso-N-(p-methylbenzyl)methylamineN-methyl-N-(4-methylbenzyl)nitrous amide
CCRIS 2569Methyl(4-methylbenzyl)nitrosamineBRN 5507971N-Nitroso-N-(4-methylbenzyl)-methylamin [German]EFQ7KJ4JCSBenzenemethanamine, N,4-dimethyl-N-nitroso-CHEMBL107002N,4-Dimethyl-N-nitrosobenzenemethanamine
Database identifiers
- CAS
62783-50-0- PubChem CID
- 44161
- DTXSID
DTXSID40211855
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 141
Experimental & physicochemical properties
LogP2.14
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
- 7 KJ4JCS · EFQ7KJ4JCS
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 400 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: 400 mg/kg ZKKOBW 88,231,77
Chemistry & industry
Suppliers1 total
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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