N-methyl-N-nitrosoaniline

• ChemBase ID: 175482
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: c1(N(C)N=O)ccccc1
• Canonical SMILES: O=NN(c1ccccc1)C
• InChI: InChI=1S/C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7/h2-6H,1H3
• InChIKey: MAXCWSIJKVASQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-nitrosoaniline
• IUPAC Traditional name: N-methyl-N-nitrosobenzeneamine
• Synonyms: N-Methyl-N-nitrosoaniline, N-Nitrosomethylphenylamine; Phenylmethylnitrosamine; NSC 137; Methylphenylnitrosoamine; N-Nitroso-N-methylaniline; N-methyl-N-nitrosoaniline

Database IDs

• CAS Number: 614-00-6
• MDL Number: MFCD00045675
• PubChem SID: 164231392
• PubChem CID: 11957

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6965723
• LogD (pH = 7.4): 1.6965723
• Log P: 1.6965723
• Molar Refractivity: 39.8281 cm^3
• Polarizability: 14.329852 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Benzene; Chloroform
• Apperance: Yellow Oil
• Boiling Point: 115-125°C/10 mm
• Hydrophobicity(logP): 1.831

Safety Information

• Storage Condition: -20°C Freezer

Product Information

• Purity: 95%