(2-amino-2-phenylethyl)diethylamine

• ChemBase ID: 246914
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: C(CN(CC)CC)(c1ccccc1)N
• Canonical SMILES: CCN(CC(c1ccccc1)N)CC
• InChI: InChI=1S/C12H20N2/c1-3-14(4-2)10-12(13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3
• InChIKey: XEIFQVOOARCSSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-2-phenylethyl)diethylamine
• IUPAC Traditional name: (2-amino-2-phenylethyl)diethylamine
• Synonyms: N-(2-amino-2-phenylethyl)-N,N-diethylamine

Database IDs

• CAS Number: 31788-87-1
• MDL Number: MFCD06655367
• PubChem SID: 164302824
• PubChem CID: 4961986

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5031518
• LogD (pH = 7.4): -0.15887766
• Log P: 1.8910418
• Molar Refractivity: 61.7179 cm^3
• Polarizability: 24.49726 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.223

Product Information

• Purity: 95%