3-hydrazinylpropan-1-ol dihydrochloride

• ChemBase ID: 271044
• Molecular Formular: C3H12Cl2N2O
• Molecular Mass: 163.04618
• Monoisotopic Mass: 162.03266837
• SMILES: N(N)CCCO.Cl.Cl
• Canonical SMILES: NNCCCO.Cl.Cl
• InChI: InChI=1S/C3H10N2O.2ClH/c4-5-2-1-3-6;;/h5-6H,1-4H2;2*1H
• InChIKey: LYYDHOIANWWYSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinylpropan-1-ol dihydrochloride
• IUPAC Traditional name: 3-hydrazinylpropan-1-ol dihydrochloride
• Synonyms: 3-hydrazinylpropan-1-ol dihydrochloride

Database IDs

• MDL Number: MFCD17977056
• PubChem SID: 164326954
• PubChem CID: 50988434

CALCULATED PROPERTIES

• Acid pKa: 15.931221
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.7002627
• LogD (pH = 7.4): -1.444718
• Log P: -1.4402566
• Molar Refractivity: 36.0534 cm^3
• Polarizability: 9.736402 Å^3
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C
• Hydrophobicity(logP): -1.277

Product Information

• Purity: 95%