(2-aminoethyl)(1-phenylethyl)amine

• ChemBase ID: 117122
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(C(NCCN)C)ccccc1
• Canonical SMILES: NCCNC(c1ccccc1)C
• InChI: InChI=1S/C10H16N2/c1-9(12-8-7-11)10-5-3-2-4-6-10/h2-6,9,12H,7-8,11H2,1H3
• InChIKey: PPLYZPAMMOECNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(1-phenylethyl)amine
• IUPAC Traditional name: (2-aminoethyl)(1-phenylethyl)amine
• Synonyms: N-(1-phenylethyl)ethane-1,2-diamine

Database IDs

• MDL Number: MFCD11593972
• PubChem SID: 162102443
• PubChem CID: 224582

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4473734
• LogD (pH = 7.4): -1.2333001
• Log P: 1.1511859
• Molar Refractivity: 51.6746 cm^3
• Polarizability: 20.803377 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.233

Product Information

• Purity: 95+%