1-[1-azido(2,2,2-2H3)ethyl]naphthalene

• ChemBase ID: 174855
• Molecular Formular: C12H11N3
• Molecular Mass: 197.23584
• Monoisotopic Mass: 197.09529737
• SMILES: c1cccc2c1c(ccc2)C(C)N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NC(c1cccc2c1cccc2)C
• InChI: InChI=1S/C12H11N3/c1-9(14-15-13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,1H3
• InChIKey: CEPCLNPZBGYRDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-azido(2,2,2-^2H₃)ethyl]naphthalene
• IUPAC Traditional name: 1-[1-azido(2,2,2-^2H₃)ethyl]naphthalene
• Synonyms: 1-(1-Azidoethyl)naphthalene-d3; 1-Naphthaleneethylazide-d3; 1-(1-Naphthyl)ethylazide-d3

Database IDs

• CAS Number: 1189510-47-1
• PubChem SID: 164230765
• PubChem CID: 46782453

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3182466
• LogD (pH = 7.4): 3.3182466
• Log P: 3.4322922
• Molar Refractivity: 60.0354 cm^3
• Polarizability: 23.819881 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Colourless Oil

Safety Information

• Storage Condition: Inert condition