1-methyl-1-phenylhydrazine; sulfuric acid

• ChemBase ID: 257825
• Molecular Formular: C7H12N2O4S
• Molecular Mass: 220.24618
• Monoisotopic Mass: 220.05177787
• SMILES: S(=O)(=O)(O)O.N(c1ccccc1)(N)C
• Canonical SMILES: OS(=O)(=O)O.CN(c1ccccc1)N
• InChI: InChI=1S/C7H10N2.H2O4S/c1-9(8)7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,8H2,1H3;(H2,1,2,3,4)
• InChIKey: NTMUFLHKQMIRCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1-phenylhydrazine; sulfuric acid
• IUPAC Traditional name: hydrazine, 1-methyl-1-phenyl-; sulfuric acid
• Synonyms: sulfuric acid compound with 1-methyl-1-phenylhydrazine (1:1)

Database IDs

• MDL Number: MFCD00035666
• PubChem SID: 164313735
• PubChem CID: 43810726

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9553353
• LogD (pH = 7.4): 1.4017357
• Log P: 1.4118046
• Molar Refractivity: 49.57 cm^3
• Polarizability: 14.751705 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.721

Product Information

• Purity: 95%