4-[2-(methylamino)ethyl]aniline

• ChemBase ID: 811048
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: Nc1ccc(cc1)CCNC
• Canonical SMILES: CNCCc1ccc(cc1)N
• InChI: InChI=1S/C9H14N2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7,10H2,1H3
• InChIKey: NNIPOYNUFNLQMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(methylamino)ethyl]aniline
• IUPAC Traditional name: 4-[2-(methylamino)ethyl]aniline
• Synonyms: 4-(2-METHYLAMINO-ETHYL)-PHENYLAMINE

Database IDs

• CAS Number: 32868-32-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2907867
• LogD (pH = 7.4): -1.6748381
• Log P: 0.9913299
• Molar Refractivity: 48.7614 cm^3
• Polarizability: 18.471622 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%