4-(2-aminoethyl)-N,N-diethylaniline

• ChemBase ID: 273599
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: c1(N(CC)CC)ccc(cc1)CCN
• Canonical SMILES: NCCc1ccc(cc1)N(CC)CC
• InChI: InChI=1S/C12H20N2/c1-3-14(4-2)12-7-5-11(6-8-12)9-10-13/h5-8H,3-4,9-10,13H2,1-2H3
• InChIKey: CVTJQHIPOJCVSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-aminoethyl)-N,N-diethylaniline
• IUPAC Traditional name: 4-(2-aminoethyl)-N,N-diethylaniline
• Synonyms: 4-(2-aminoethyl)-N,N-diethylaniline

Database IDs

• MDL Number: MFCD03840511
• PubChem SID: 164329509
• PubChem CID: 16762856

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4372239
• LogD (pH = 7.4): -0.17467782
• Log P: 2.2093353
• Molar Refractivity: 63.2122 cm^3
• Polarizability: 24.010319 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.656

Product Information

• Purity: 95%