(2-methylpropyl)hydrazine hydrate

• ChemBase ID: 237045
• Molecular Formular: C4H14N2O
• Molecular Mass: 106.16676
• Monoisotopic Mass: 106.11061308
• SMILES: N(N)CC(C)C.O
• Canonical SMILES: NNCC(C)C.O
• InChI: InChI=1S/C4H12N2.H2O/c1-4(2)3-6-5;/h4,6H,3,5H2,1-2H3;1H2
• InChIKey: SJBWJOHNKQXLKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylpropyl)hydrazine hydrate
• IUPAC Traditional name: (2-methylpropyl)hydrazine hydrate
• Synonyms: isobutylhydrazine hydrate

Database IDs

• CAS Number: 42504-87-0
• MDL Number: MFCD08447216
• PubChem SID: 164292955
• PubChem CID: 20847945

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.1052605
• LogD (pH = 7.4): 0.42090446
• Log P: 0.4341889
• Molar Refractivity: 38.6399 cm^3
• Polarizability: 10.95869 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.393

Product Information

• Purity: 95%
• Salt Data: H2O