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

• ChemBase ID: 266756
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: c12c(CCC(C1)N)cccc2.Cl
• Canonical SMILES: NC1CCc2c(C1)cccc2.Cl
• InChI: InChI=1S/C10H13N.ClH/c11-10-6-5-8-3-1-2-4-9(8)7-10;/h1-4,10H,5-7,11H2;1H
• InChIKey: FJQOAYUXVCSSQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
• IUPAC Traditional name: 2-aminotetralin hydrochloride
• Synonyms: 1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride; 1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 1743-01-7
• MDL Number: MFCD00798882
• PubChem SID: 164322666
• PubChem CID: 12924835

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

Product Information

• Purity: 95%; 95+%; 98%