butan-2-ylhydrazine dihydrochloride

• ChemBase ID: 61510
• Molecular Formular: C4H14Cl2N2
• Molecular Mass: 161.07336
• Monoisotopic Mass: 160.05340382
• SMILES: N(N)C(CC)C.Cl.Cl
• Canonical SMILES: CCC(NN)C.Cl.Cl
• InChI: InChI=1S/C4H12N2.2ClH/c1-3-4(2)6-5;;/h4,6H,3,5H2,1-2H3;2*1H
• InChIKey: LKAMBWQCMVFVEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butan-2-ylhydrazine dihydrochloride
• IUPAC Traditional name: sec-butylhydrazine dihydrochloride
• Synonyms: butan-2-ylhydrazine dihydrochloride; sec-Butylhydrazine dihydrochloride

Database IDs

• CAS Number: 1177361-36-2
• MDL Number: MFCD11840328
• PubChem SID: 162027251
• PubChem CID: 47002292

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.08245187
• LogD (pH = 7.4): 0.47124514
• Log P: 0.4857911
• Molar Refractivity: 38.5871 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): 0.303

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%