2-methylpropanehydrazide

• ChemBase ID: 27340
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: C(=O)(NN)C(C)C
• Canonical SMILES: NNC(=O)C(C)C
• InChI: InChI=1S/C4H10N2O/c1-3(2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7)
• InChIKey: PLNNJQXIITYYTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpropanehydrazide
• IUPAC Traditional name: I-butryic acid hydrazide
• Synonyms: 2-Methylpropanohydrazide; Isobutyric acid hydrazide

Database IDs

• CAS Number: 3619-17-8
• MDL Number: MFCD00025122
• PubChem SID: 160990647
• PubChem CID: 19239

CALCULATED PROPERTIES

• Acid pKa: 13.345756
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.0857625
• LogD (pH = 7.4): -0.08327422
• Log P: -0.083241895
• Molar Refractivity: 28.1514 cm^3
• Polarizability: 10.746768 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): -0.786

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%