N-(4-aminobutyl)-N-methylaniline

• ChemBase ID: 262548
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: N(c1ccccc1)(CCCCN)C
• Canonical SMILES: NCCCCN(c1ccccc1)C
• InChI: InChI=1S/C11H18N2/c1-13(10-6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10,12H2,1H3
• InChIKey: JLEMNVMHZPEHBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminobutyl)-N-methylaniline
• IUPAC Traditional name: N-(4-aminobutyl)-N-methylaniline
• Synonyms: N-(4-aminobutyl)-N-methylaniline

Database IDs

• MDL Number: MFCD09723562
• PubChem SID: 164318458
• PubChem CID: 19438630

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4866754
• LogD (pH = 7.4): -0.74772304
• Log P: 1.8616283
• Molar Refractivity: 57.9464 cm^3
• Polarizability: 22.247353 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.007

Product Information

• Purity: 95%