pentan-3-ylhydrazine hydrochloride

• ChemBase ID: 243235
• Molecular Formular: C5H15ClN2
• Molecular Mass: 138.639
• Monoisotopic Mass: 138.09237617
• SMILES: N(N)C(CC)CC.Cl
• Canonical SMILES: CCC(NN)CC.Cl
• InChI: InChI=1S/C5H14N2.ClH/c1-3-5(4-2)7-6;/h5,7H,3-4,6H2,1-2H3;1H
• InChIKey: CJFLBOKQFSMRMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentan-3-ylhydrazine hydrochloride
• IUPAC Traditional name: pentan-3-ylhydrazine hydrochloride
• Synonyms: pentan-3-ylhydrazine hydrochloride

Database IDs

• MDL Number: MFCD14583114
• PubChem SID: 164299145
• PubChem CID: 71757203

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.39300907
• LogD (pH = 7.4): 0.9915248
• Log P: 1.0083135
• Molar Refractivity: 43.1111 cm^3
• Polarizability: 12.804681 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): 0.832

Product Information

• Purity: 95%