5-azido-1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 270498
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: [N+](=[N-])=Nc1c2c(ccc1)CCCC2
• Canonical SMILES: [N-]=[N+]=Nc1cccc2c1CCCC2
• InChI: InChI=1S/C10H11N3/c11-13-12-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2
• InChIKey: ZJNZMDGNVNJFIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-azido-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 1-azido-5,6,7,8-tetrahydronaphthalene
• Synonyms: 5-azido-1,2,3,4-tetrahydronaphthalene

Database IDs

• MDL Number: MFCD11207318
• PubChem SID: 164326408
• PubChem CID: 43154602

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.731824
• LogD (pH = 7.4): 3.731824
• Log P: 3.8458695
• Molar Refractivity: 53.8278 cm^3
• Polarizability: 19.037903 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.157

Product Information

• Purity: 95%