1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 125252
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1Cc2ccccc2CC1N
• Canonical SMILES: NC1CCc2c(C1)cccc2
• InChI: InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
• InChIKey: LCGFVWKNXLRFIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: 2-aminotetralin
• Synonyms: 2-Aminotetralin; 1,2,3,4-tetrahydro-2-naphthalenamine; 1,2,3,4-TETRAHYDRO-2-NAPHTHYLAMINE; 1,2,3,4-tetrahydronaphthalen-2-amine

Database IDs

• CAS Number: 2954-50-9
• MDL Number: MFCD00045577
• PubChem SID: 162219602
• PubChem CID: 34677
• CHEMBL: 30294
• Chemspider ID: 31912
• Wikipedia Title: 2-Aminotetralin

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0876839
• LogD (pH = 7.4): -0.556096
• Log P: 1.9318997
• Molar Refractivity: 46.8672 cm^3
• Polarizability: 18.382362 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.877

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled

Product Information

• Purity: 95%; 98%