2-[(3-methylphenyl)amino]propanehydrazide

• ChemBase ID: 33241
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: C(=O)(C(Nc1cc(ccc1)C)C)NN
• Canonical SMILES: NNC(=O)C(Nc1cccc(c1)C)C
• InChI: InChI=1S/C10H15N3O/c1-7-4-3-5-9(6-7)12-8(2)10(14)13-11/h3-6,8,12H,11H2,1-2H3,(H,13,14)
• InChIKey: FZRUQJLRCUMWFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-methylphenyl)amino]propanehydrazide
• IUPAC Traditional name: 2-[(3-methylphenyl)amino]propanehydrazide
• Synonyms: 2-[(3-Methylphenyl)amino]propanohydrazide

Database IDs

• MDL Number: MFCD02255642
• PubChem SID: 160996548
• PubChem CID: 24029215

CALCULATED PROPERTIES

• Acid pKa: 13.076277
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.9015803
• LogD (pH = 7.4): 0.9027587
• Log P: 0.9027746
• Molar Refractivity: 58.1778 cm^3
• Polarizability: 21.390854 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false