2-(9H-carbazol-9-yl)ethan-1-ol

• ChemBase ID: 150033
• Molecular Formular: C14H13NO
• Molecular Mass: 211.25912
• Monoisotopic Mass: 211.09971404
• SMILES: c1ccc2c(c1)c1ccccc1n2CCO
• Canonical SMILES: OCCn1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C14H13NO/c16-10-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,16H,9-10H2
• InChIKey: IIKVAWLYHHZRGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(9H-carbazol-9-yl)ethan-1-ol
• IUPAC Traditional name: 2-(carbazol-9-yl)ethanol
• Synonyms: 9H-Carbazole-9-ethanol; 9H-咔唑-9-乙醇

Database IDs

• CAS Number: 1484-14-6
• MDL Number: MFCD00518704
• PubChem SID: 24871644; 162244195
• PubChem CID: 228287

CALCULATED PROPERTIES

• Acid pKa: 15.463453
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6244597
• LogD (pH = 7.4): 2.6244597
• Log P: 2.6244597
• Molar Refractivity: 64.6612 cm^3
• Polarizability: 27.424364 Å^3
• Polar Surface Area: 25.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78-82 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C14H13NO

DETAILS

Sigma Aldrich - 479748

Packaging
5, 25 g in glass bottle