9-(propan-2-yl)-9H-carbazole

• ChemBase ID: 76834
• Molecular Formular: C15H15N
• Molecular Mass: 209.2863
• Monoisotopic Mass: 209.12044949
• SMILES: n1(c2c(cccc2)c2c1cccc2)C(C)C
• Canonical SMILES: CC(n1c2ccccc2c2c1cccc2)C
• InChI: InChI=1S/C15H15N/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-11H,1-2H3
• InChIKey: LSZJZNNASZFXKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(propan-2-yl)-9H-carbazole
• IUPAC Traditional name: 9-isopropylcarbazole
• Synonyms: 9-ISOPROPYL CARBAZOLE; 9-Isopropyl-9H-carbazole; 9-Isopropylcarbazole; 9-异丙基咔唑

Database IDs

• CAS Number: 1484-09-9
• EC Number: 216-052-4
• MDL Number: MFCD00046896
• PubChem SID: 162041736
• PubChem CID: 73873

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0879445
• LogD (pH = 7.4): 4.0879445
• Log P: 4.0879445
• Molar Refractivity: 67.5363 cm^3
• Polarizability: 28.770584 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118-122°C; 118-122°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 是

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05225027

MP Biomedicals Rare Chemical collection