2-hydrazinylpropan-1-ol dihydrochloride

• ChemBase ID: 235248
• Molecular Formular: C3H12Cl2N2O
• Molecular Mass: 163.04618
• Monoisotopic Mass: 162.03266837
• SMILES: N(N)C(CO)C.Cl.Cl
• Canonical SMILES: OCC(NN)C.Cl.Cl
• InChI: InChI=1S/C3H10N2O.2ClH/c1-3(2-6)5-4;;/h3,5-6H,2,4H2,1H3;2*1H
• InChIKey: GGTBIYOXROJPHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinylpropan-1-ol dihydrochloride
• IUPAC Traditional name: 2-hydrazinylpropan-1-ol dihydrochloride
• Synonyms: 2-hydrazinylpropan-1-ol dihydrochloride

Database IDs

• MDL Number: MFCD22369794
• PubChem SID: 164291158
• PubChem CID: 71755463

CALCULATED PROPERTIES

• Acid pKa: 15.084887
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.3544164
• LogD (pH = 7.4): -1.0883502
• Log P: -1.0836413
• Molar Refractivity: 35.6068 cm^3
• Polarizability: 9.736402 Å^3
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.282

Product Information

• Purity: 95%