2-(9H-carbazol-9-yl)ethan-1-amine hydrochloride

• ChemBase ID: 270261
• Molecular Formular: C14H15ClN2
• Molecular Mass: 246.7353
• Monoisotopic Mass: 246.09237617
• SMILES: n1(c2c(c3c1cccc3)cccc2)CCN.Cl
• Canonical SMILES: NCCn1c2ccccc2c2c1cccc2.Cl
• InChI: InChI=1S/C14H14N2.ClH/c15-9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16;/h1-8H,9-10,15H2;1H
• InChIKey: NGYWNFFZLRVVNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(9H-carbazol-9-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(carbazol-9-yl)ethanamine hydrochloride
• Synonyms: 2-(9H-carbazol-9-yl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD17167243
• PubChem SID: 164326171
• PubChem CID: 12231214

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4860129
• LogD (pH = 7.4): 0.30134776
• Log P: 2.517578
• Molar Refractivity: 66.3187 cm^3
• Polarizability: 28.420961 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 353 - 355°C
• Hydrophobicity(logP): 3.229

Product Information

• Purity: 95%