4-(2-phenylethoxy)butan-1-amine

• ChemBase ID: 260327
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: NCCCCOCCc1ccccc1
• Canonical SMILES: NCCCCOCCc1ccccc1
• InChI: InChI=1S/C12H19NO/c13-9-4-5-10-14-11-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,13H2
• InChIKey: VQYYBGSIIGMPPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-phenylethoxy)butan-1-amine
• IUPAC Traditional name: 4-(2-phenylethoxy)butan-1-amine
• Synonyms: 4-(2-phenylethoxy)butan-1-amine

Database IDs

• MDL Number: MFCD11196472
• PubChem SID: 164316237
• PubChem CID: 28996391

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.105913
• LogD (pH = 7.4): -0.6846014
• Log P: 1.9180224
• Molar Refractivity: 59.8399 cm^3
• Polarizability: 23.545326 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.609

Product Information

• Purity: 95%