4-[(2S)-oxiran-2-ylmethoxy]-9H-carbazole

• ChemBase ID: 77484
• Molecular Formular: C15H13NO2
• Molecular Mass: 239.26922
• Monoisotopic Mass: 239.09462866
• SMILES: [nH]1c2c(c(ccc2)OC[C@H]2OC2)c2c1cccc2
• Canonical SMILES: c1cc(OC[C@@H]2CO2)c2c(c1)[nH]c1c2cccc1
• InChI: InChI=1S/C15H13NO2/c1-2-5-12-11(4-1)15-13(16-12)6-3-7-14(15)18-9-10-8-17-10/h1-7,10,16H,8-9H2/t10-/m0/s1
• InChIKey: SVWKIGRDISDRLO-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2S)-oxiran-2-ylmethoxy]-9H-carbazole
• IUPAC Traditional name: 4-[(2S)-oxiran-2-ylmethoxy]-9H-carbazole
• Synonyms: (S)-4-(2,3-Epoxypropoxy)-9H-carbazole; 4-[(2S)-2-Oxiranylmethoxy]-9H-carbazole; (S)-4-(2-Oxiranylmethoxy)carbazole; (S)-4-(Oxiranylmethoxy)-9H-carbazole; 4-(((2S)-Oxiranyl)methoxy)-9H-carbazole; (S)-(+)-4-(2,3-Epoxypropoxy)carbazole

Database IDs

• CAS Number: 95093-95-1
• MDL Number: MFCD07369358
• PubChem SID: 162042356
• PubChem CID: 10879208

CALCULATED PROPERTIES

• Acid pKa: 14.937204
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.774481
• LogD (pH = 7.4): 2.774481
• Log P: 2.774481
• Molar Refractivity: 68.6801 cm^3
• Polarizability: 29.284798 Å^3
• Polar Surface Area: 37.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetonitrile; Chloroform
• Apperance: Grey Powder
• Melting Point: 158-160°C

Safety Information

• Storage Warning: Irritant