1,2-dihydronaphthalen-2-amine

• ChemBase ID: 125245
• Molecular Formular: C10H11N
• Molecular Mass: 145.20104
• Monoisotopic Mass: 145.08914936
• SMILES: c1ccc2c(C=CC(N)C2)c1
• Canonical SMILES: NC1C=Cc2c(C1)cccc2
• InChI: InChI=1S/C10H11N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-6,10H,7,11H2
• InChIKey: SHLZSYAMFQNEOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dihydronaphthalen-2-amine
• IUPAC Traditional name: 2-amino-1,2-dihydronaphthalene
• Synonyms: 2-Amino-1,2-dihydronaphthalene

Database IDs

• CAS Number: 79605-60-0
• PubChem SID: 162219595
• PubChem CID: 133605
• Chemspider ID: 117856
• Wikipedia Title: 2-Amino-1,2-dihydronaphthalene

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1732985
• LogD (pH = 7.4): -0.18886472
• Log P: 1.8085855
• Molar Refractivity: 47.8298 cm^3
• Polarizability: 18.311476 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled