2-amino-3-cyclopropylpropan-1-ol

• ChemBase ID: 242945
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1(CC1)CC(N)CO
• Canonical SMILES: OCC(CC1CC1)N
• InChI: InChI=1S/C6H13NO/c7-6(4-8)3-5-1-2-5/h5-6,8H,1-4,7H2
• InChIKey: FOLTVANRLLYQGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-cyclopropylpropan-1-ol
• IUPAC Traditional name: 2-amino-3-cyclopropylpropan-1-ol
• Synonyms: 2-amino-3-cyclopropylpropan-1-ol

Database IDs

• MDL Number: MFCD11040154
• PubChem SID: 164298855
• PubChem CID: 55254354

CALCULATED PROPERTIES

• Acid pKa: 15.127322
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1201236
• LogD (pH = 7.4): -2.4397507
• Log P: -0.1086016
• Molar Refractivity: 32.5013 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

• Hydrophobicity(logP): -0.013

Product Information

• Purity: 95%