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

• ChemBase ID: 17201
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(ccc(cc1)CCN)N(C)C
• Canonical SMILES: NCCc1ccc(cc1)N(C)C
• InChI: InChI=1S/C10H16N2/c1-12(2)10-5-3-9(4-6-10)7-8-11/h3-6H,7-8,11H2,1-2H3
• InChIKey: BODSPBSIEGRURL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-aminoethyl)-N,N-dimethylaniline
• IUPAC Traditional name: 4-(2-aminoethyl)-N,N-dimethylaniline
• Synonyms: 2-(4-Dimethylaminophenyl)ethylamine; 4-(2-aminoethyl)-N,N-dimethylaniline; [4-(2-Amino-ethyl)-phenyl]-dimethyl-amine; [4-(2-aminoethyl)phenyl]dimethylamine

Database IDs

• CAS Number: 52632-05-0
• MDL Number: MFCD04114079
• PubChem SID: 160980508
• PubChem CID: 151268

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6882786
• LogD (pH = 7.4): -0.8740681
• Log P: 1.4957193
• Molar Refractivity: 53.715 cm^3
• Polarizability: 20.316917 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.165
• Hydrophobicity(logP): 1.598

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%