bis(2-phenylethyl)amine hydrochloride

• ChemBase ID: 229458
• Molecular Formular: C16H20ClN
• Molecular Mass: 261.7897
• Monoisotopic Mass: 261.12842733
• SMILES: N(CCc1ccccc1)CCc1ccccc1.Cl
• Canonical SMILES: N(CCc1ccccc1)CCc1ccccc1.Cl
• InChI: InChI=1S/C16H19N.ClH/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16;/h1-10,17H,11-14H2;1H
• InChIKey: GBMYHLWTKLNQKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-phenylethyl)amine hydrochloride
• IUPAC Traditional name: bis(2-phenylethyl)amine hydrochloride
• Synonyms: N,N-bis(2-phenylethyl)amine hydrochloride

Database IDs

• CAS Number: 6308-98-1
• MDL Number: MFCD01110386
• PubChem SID: 164285368
• PubChem CID: 2749885

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.6034244
• LogD (pH = 7.4): 1.1009825
• Log P: 3.8333902
• Molar Refractivity: 73.4286 cm^3
• Polarizability: 28.77668 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 257 - 259°C
• Hydrophobicity(logP): 3.526

Product Information

• Purity: 95%
• Salt Data: HCl