4-(cyclopropylamino)butan-1-ol

• ChemBase ID: 275824
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1(CC1)NCCCCO
• Canonical SMILES: OCCCCNC1CC1
• InChI: InChI=1S/C7H15NO/c9-6-2-1-5-8-7-3-4-7/h7-9H,1-6H2
• InChIKey: SGVSGIKGXAFXQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopropylamino)butan-1-ol
• IUPAC Traditional name: 4-(cyclopropylamino)butan-1-ol
• Synonyms: 4-(cyclopropylamino)butan-1-ol

Database IDs

• MDL Number: MFCD16072546
• PubChem SID: 164331734
• PubChem CID: 54593878

CALCULATED PROPERTIES

• Acid pKa: 15.972578
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0583944
• LogD (pH = 7.4): -2.345882
• Log P: 0.15990646
• Molar Refractivity: 37.7069 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.334

Product Information

• Purity: 95%