N,N-dimethyl-4-(pyrrolidin-2-yl)aniline

• ChemBase ID: 813150
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N(c1ccc(cc1)C1NCCC1)(C)C
• Canonical SMILES: CN(c1ccc(cc1)C1CCCN1)C
• InChI: InChI=1S/C12H18N2/c1-14(2)11-7-5-10(6-8-11)12-4-3-9-13-12/h5-8,12-13H,3-4,9H2,1-2H3
• InChIKey: DWLOCNSUEBLJCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-(pyrrolidin-2-yl)aniline
• IUPAC Traditional name: N,N-dimethyl-4-(pyrrolidin-2-yl)aniline
• Synonyms: DIMETHYL-(4-PYRROLIDIN-2-YL-PHENYL)-AMINE

Database IDs

• CAS Number: 298690-88-7

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -1.1692114
• LogD (pH = 7.4): -0.90710384
• Log P: 2.1052032
• Molar Refractivity: 60.9458 cm^3
• Polarizability: 23.346685 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Product Information

• Purity: 98%