3-(benzyloxy)propan-1-amine

• ChemBase ID: 250197
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: NCCCOCc1ccccc1
• Canonical SMILES: NCCCOCc1ccccc1
• InChI: InChI=1S/C10H15NO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,11H2
• InChIKey: QFHLJYPKYWISHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)propan-1-amine
• IUPAC Traditional name: 3-(benzyloxy)propan-1-amine
• Synonyms: 3-(benzyloxy)propan-1-amine

Database IDs

• CAS Number: 16728-64-6
• MDL Number: MFCD07339550
• PubChem SID: 164306107
• PubChem CID: 7130784

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9104613
• LogD (pH = 7.4): -1.4483919
• Log P: 1.1119984
• Molar Refractivity: 50.4403 cm^3
• Polarizability: 19.928621 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.655

Product Information

• Purity: 95%; 98%