N-(2-aminoethyl)-N-methylaniline

• ChemBase ID: 19309
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: N(c1ccccc1)(CCN)C
• Canonical SMILES: NCCN(c1ccccc1)C
• InChI: InChI=1S/C9H14N2/c1-11(8-7-10)9-5-3-2-4-6-9/h2-6H,7-8,10H2,1H3
• InChIKey: GCGMQDJOIHALPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-N-methylaniline
• IUPAC Traditional name: N-(2-aminoethyl)-N-methylaniline
• Synonyms: N-(2-aminoethyl)-N-methylaniline; N-METHYL-N-PHENYLETHANE-1,2-DIAMINE; N*1*-Methyl-N*1*-phenyl-ethane-1,2-diamine; (2-aminoethyl)methyl(phenyl)amine

Database IDs

• CAS Number: 1664-39-7
• MDL Number: MFCD00047949
• PubChem SID: 160982616
• PubChem CID: 7064114

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7143692
• LogD (pH = 7.4): -0.8664841
• Log P: 1.2843058
• Molar Refractivity: 48.4364 cm^3
• Polarizability: 18.553522 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.641

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%