3-amino-3-cyclopropylpropan-1-ol

• ChemBase ID: 813373
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C(CC(C1CC1)N)O
• Canonical SMILES: OCCC(C1CC1)N
• InChI: InChI=1S/C6H13NO/c7-6(3-4-8)5-1-2-5/h5-6,8H,1-4,7H2
• InChIKey: UELSFEZAVWXJFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-3-cyclopropylpropan-1-ol
• IUPAC Traditional name: 3-amino-3-cyclopropylpropan-1-ol
• Synonyms: 3-AMINO-3-CYCLOPROPYL-PROPAN-1-OL

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

Product Information

• Purity: 98%