3-amino-3-cyclopropylpropan-1-ol hydrochloride

• ChemBase ID: 278524
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: C1(CC1)C(N)CCO.Cl
• Canonical SMILES: OCCC(C1CC1)N.Cl
• InChI: InChI=1S/C6H13NO.ClH/c7-6(3-4-8)5-1-2-5;/h5-6,8H,1-4,7H2;1H
• InChIKey: XXPWXCKPADPLGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-3-cyclopropylpropan-1-ol hydrochloride
• IUPAC Traditional name: 3-amino-3-cyclopropylpropan-1-ol hydrochloride
• Synonyms: 3-amino-3-cyclopropylpropan-1-ol hydrochloride

Database IDs

• MDL Number: MFCD06211987
• PubChem SID: 164334434
• PubChem CID: 53626267

CALCULATED PROPERTIES

• Acid pKa: 15.924424
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.437414
• LogD (pH = 7.4): -2.967458
• Log P: -0.4152568
• Molar Refractivity: 32.6887 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): -0.204

Product Information

• Purity: 95%