2-ethenyl-9-ethyl-9H-carbazole

• ChemBase ID: 142086
• Molecular Formular: C16H15N
• Molecular Mass: 221.297
• Monoisotopic Mass: 221.12044949
• SMILES: CCn1c2ccccc2c2c1cc(cc2)C=C
• Canonical SMILES: C=Cc1ccc2c(c1)n(CC)c1c2cccc1
• InChI: InChI=1S/C16H15N/c1-3-12-9-10-14-13-7-5-6-8-15(13)17(4-2)16(14)11-12/h3,5-11H,1,4H2,2H3
• InChIKey: QDZXSLUJYIHQDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenyl-9-ethyl-9H-carbazole
• IUPAC Traditional name: 2-ethenyl-9-ethylcarbazole
• Synonyms: N-Ethyl-2-vinylcarbazole; N-乙基-2-乙烯基咔唑

Database IDs

• CAS Number: 38627-52-0
• MDL Number: MFCD20486884
• PubChem SID: 24883642; 162236317
• PubChem CID: 16217866

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.408072
• LogD (pH = 7.4): 4.408072
• Log P: 4.408072
• Molar Refractivity: 72.8038 cm^3
• Polarizability: 30.476318 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335-H413
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C16H15N

DETAILS

Sigma Aldrich - 649295

Packaging
500 mg in glass bottle