3-(9H-carbazol-9-yl)propan-1-amine hydrochloride

• ChemBase ID: 269950
• Molecular Formular: C15H17ClN2
• Molecular Mass: 260.76188
• Monoisotopic Mass: 260.10802623
• SMILES: n1(c2c(c3c1cccc3)cccc2)CCCN.Cl
• Canonical SMILES: NCCCn1c2ccccc2c2c1cccc2.Cl
• InChI: InChI=1S/C15H16N2.ClH/c16-10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17;/h1-4,6-9H,5,10-11,16H2;1H
• InChIKey: ZDZKEBRPLHUTPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(9H-carbazol-9-yl)propan-1-amine hydrochloride
• IUPAC Traditional name: 3-(carbazol-9-yl)propan-1-amine hydrochloride
• Synonyms: 3-(9H-carbazol-9-yl)propan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD17167181
• PubChem SID: 164325860
• PubChem CID: 50988731

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4483648
• LogD (pH = 7.4): -0.0884142
• Log P: 2.5775378
• Molar Refractivity: 71.1841 cm^3
• Polarizability: 30.263988 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.547

Product Information

• Purity: 95%