1,4,5,8,9-pentamethyl-9H-carbazole

• ChemBase ID: 91250
• Molecular Formular: C17H19N
• Molecular Mass: 237.33946
• Monoisotopic Mass: 237.15174961
• SMILES: n1(c2c(c(ccc2C)C)c2c1c(ccc2C)C)C
• Canonical SMILES: Cc1ccc(c2c1n(C)c1c2c(C)ccc1C)C
• InChI: InChI=1S/C17H19N/c1-10-6-8-12(3)16-14(10)15-11(2)7-9-13(4)17(15)18(16)5/h6-9H,1-5H3
• InChIKey: LKVSJOBCOXSNCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4,5,8,9-pentamethyl-9H-carbazole
• IUPAC Traditional name: 1,4,5,8,9-pentamethylcarbazole
• Synonyms: 1,4,5,8,9-Pentamethylcarbazole; 1,4,5,8,9-Pentamethylcarbazole; 1,4,5,8,9-五甲基咔唑

Database IDs

• CAS Number: 27477-88-9
• MDL Number: MFCD00009625
• PubChem SID: 162077954
• PubChem CID: 617026

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3682475
• LogD (pH = 7.4): 5.3682475
• Log P: 5.3682475
• Molar Refractivity: 78.5337 cm^3
• Polarizability: 32.10941 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 167-168°C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C17H19N