1-(diphenylphosphoroso)-1-methylhydrazine

• ChemBase ID: 80129
• Molecular Formular: C13H15N2OP
• Molecular Mass: 246.244761
• Monoisotopic Mass: 246.09219974
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)N(N)C
• Canonical SMILES: CN(P(=O)(c1ccccc1)c1ccccc1)N
• InChI: InChI=1S/C13H15N2OP/c1-15(14)17(16,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,14H2,1H3
• InChIKey: MBYKDUGAFCUNQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diphenylphosphoroso)-1-methylhydrazine
• IUPAC Traditional name: 1-(diphenylphosphoroso)-1-methylhydrazine
• Synonyms: N-methyl(diphenyl)phosphinic hydrazide

Database IDs

• MDL Number: MFCD00196017
• PubChem SID: 162067249
• PubChem CID: 608666

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6714654
• LogD (pH = 7.4): 2.6817658
• Log P: 2.6819
• Molar Refractivity: 71.0723 cm^3
• Polarizability: 27.557648 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true