1-azido-3-(9H-carbazol-4-yloxy)propan-2-ol

• ChemBase ID: 161038
• Molecular Formular: C15H14N4O2
• Molecular Mass: 282.29726
• Monoisotopic Mass: 282.11167571
• SMILES: C(C(COc1cccc2c1c1c([nH]2)cccc1)O)N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NCC(COc1cccc2c1c1ccccc1[nH]2)O
• InChI: InChI=1S/C15H14N4O2/c16-19-17-8-10(20)9-21-14-7-3-6-13-15(14)11-4-1-2-5-12(11)18-13/h1-7,10,18,20H,8-9H2
• InChIKey: HETBXCZVCSTHDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-azido-3-(9H-carbazol-4-yloxy)propan-2-ol
• IUPAC Traditional name: 1-azido-3-(9H-carbazol-4-yloxy)propan-2-ol
• Synonyms: 1-Azido-3-(9H-carbazol-4-yloxy)-2-propanol; 4-[1'-(3'-Azido-1',2'-propanediol)]carbazole

Database IDs

• CAS Number: 1253696-17-1
• PubChem SID: 162255173
• PubChem CID: 46243256

CALCULATED PROPERTIES

• Acid pKa: 13.839056
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.3190763
• LogD (pH = 7.4): 2.319076
• Log P: 2.433122
• Molar Refractivity: 78.4827 cm^3
• Polarizability: 32.120842 Å^3
• Polar Surface Area: 74.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane
• Apperance: Off-White Solid

DETAILS

Toronto Research Chemicals - A856295

Carvedilol intermediate.