[(9-ethyl-9H-carbazol-3-yl)methyl](methyl)amine hydrochloride

• ChemBase ID: 250326
• Molecular Formular: C16H19ClN2
• Molecular Mass: 274.78846
• Monoisotopic Mass: 274.1236763
• SMILES: n1(c2c(c3c1cccc3)cc(cc2)CNC)CC.Cl
• Canonical SMILES: CNCc1ccc2c(c1)c1ccccc1n2CC.Cl
• InChI: InChI=1S/C16H18N2.ClH/c1-3-18-15-7-5-4-6-13(15)14-10-12(11-17-2)8-9-16(14)18;/h4-10,17H,3,11H2,1-2H3;1H
• InChIKey: IXWVUPURFWFRNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(9-ethyl-9H-carbazol-3-yl)methyl](methyl)amine hydrochloride
• IUPAC Traditional name: [(9-ethylcarbazol-3-yl)methyl](methyl)amine hydrochloride
• Synonyms: N-[(9-ethyl-9H-carbazol-3-yl)methyl]-N-methylamine hydrochloride

Database IDs

• MDL Number: MFCD07168924
• PubChem SID: 164306236
• PubChem CID: 16255105

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.032606363
• LogD (pH = 7.4): 0.9704883
• Log P: 3.2297184
• Molar Refractivity: 76.3655 cm^3
• Polarizability: 32.102623 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 207 - 209°C
• Hydrophobicity(logP): 3.879

Product Information

• Purity: 95%
• Salt Data: HCl