1-N,1-N-dimethylbenzene-1,2-diamine

• ChemBase ID: 47584
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1(N(C)C)c(N)cccc1
• Canonical SMILES: CN(c1ccccc1N)C
• InChI: InChI=1S/C8H12N2/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3
• InChIKey: HJXIRCMNJLIHQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N-dimethylbenzene-1,2-diamine
• IUPAC Traditional name: 1-N,1-N-dimethylbenzene-1,2-diamine
• Synonyms: N~1~,N~1~-dimethyl-1,2-benzenediamine; N1,N1-Dimethylbenzene-1,2-diamine; N,N-dimethylbenzene-1,2-diamine; (2-aminophenyl)dimethylamine

Database IDs

• CAS Number: 2836-03-5
• MDL Number: MFCD01706706
• PubChem SID: 162052347
• PubChem CID: 76083

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1764077
• LogD (pH = 7.4): 1.2513195
• Log P: 1.2523637
• Molar Refractivity: 45.187 cm^3
• Polarizability: 16.305605 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.08

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%