4-(9H-carbazol-9-yl)aniline hydrochloride

• ChemBase ID: 84921
• Molecular Formular: C18H15ClN2
• Molecular Mass: 294.7781
• Monoisotopic Mass: 294.09237617
• SMILES: n1(c2c(cccc2)c2c1cccc2)c1ccc(cc1)N.Cl
• Canonical SMILES: Nc1ccc(cc1)n1c2ccccc2c2c1cccc2.Cl
• InChI: InChI=1S/C18H14N2.ClH/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20;/h1-12H,19H2;1H
• InChIKey: CFQROJKMLJRSAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(9H-carbazol-9-yl)aniline hydrochloride
• IUPAC Traditional name: 4-(carbazol-9-yl)aniline hydrochloride
• Synonyms: 9-(4-Aminophenyl)carbazole hydrochloride; 4-(9H-Carbazol-9-yl)aniline hydrochloride; 9-(4-氨基苯基)咔唑盐酸盐

Database IDs

• CAS Number: 312700-07-5
• EC Number: 000-000-0
• MDL Number: MFCD00082678
• PubChem SID: 162072037
• PubChem CID: 2794996

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8635092
• LogD (pH = 7.4): 4.1386447
• Log P: 4.1435943
• Molar Refractivity: 93.1662 cm^3
• Polarizability: 34.785656 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 250°C dec.

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%