3-(cyclopropylamino)propan-1-ol

• ChemBase ID: 276077
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1(CC1)NCCCO
• Canonical SMILES: OCCCNC1CC1
• InChI: InChI=1S/C6H13NO/c8-5-1-4-7-6-2-3-6/h6-8H,1-5H2
• InChIKey: CMNRBVDFOGJTTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopropylamino)propan-1-ol
• IUPAC Traditional name: 3-(cyclopropylamino)propan-1-ol
• Synonyms: 3-(cyclopropylamino)propan-1-ol

Database IDs

• MDL Number: MFCD15206831
• PubChem SID: 164331987
• PubChem CID: 54547218

CALCULATED PROPERTIES

• Acid pKa: 15.933825
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5598822
• LogD (pH = 7.4): -2.6675093
• Log P: -0.3574562
• Molar Refractivity: 33.0623 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.105

Product Information

• Purity: 95%