butylhydrazine

• ChemBase ID: 233891
• Molecular Formular: C4H12N2
• Molecular Mass: 88.15148
• Monoisotopic Mass: 88.10004839
• SMILES: N(N)CCCC
• Canonical SMILES: CCCCNN
• InChI: InChI=1S/C4H12N2/c1-2-3-4-6-5/h6H,2-5H2,1H3
• InChIKey: XKLVLDXNZDIDKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butylhydrazine
• IUPAC Traditional name: butylhydrazine
• Synonyms: butylhydrazine; Butyrohydrazide

Database IDs

• CAS Number: 3538-65-6; 3530-11-8
• MDL Number: MFCD06655022
• PubChem SID: 164289801
• PubChem CID: 77064

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.004830677
• LogD (pH = 7.4): 0.50260764
• Log P: 0.5137847
• Molar Refractivity: 38.7693 cm^3
• Polarizability: 10.95869 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 158°C
• Hydrophobicity(logP): 0.523

Product Information

• Purity: 95%; 98%