(1R)-7-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

• ChemBase ID: 244782
• Molecular Formular: C13H20ClN
• Molecular Mass: 225.7576
• Monoisotopic Mass: 225.12842733
• SMILES: c12cc(ccc1CCC[C@H]2N)C(C)C.Cl
• Canonical SMILES: N[C@@H]1CCCc2c1cc(cc2)C(C)C.Cl
• InChI: InChI=1S/C13H19N.ClH/c1-9(2)11-7-6-10-4-3-5-13(14)12(10)8-11;/h6-9,13H,3-5,14H2,1-2H3;1H/t13-;/m1./s1
• InChIKey: AKMJSBFUAFSUMU-BTQNPOSSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-7-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• IUPAC Traditional name: (1R)-7-isopropyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• Synonyms: (1R)-7-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22741245
• PubChem SID: 164300692
• PubChem CID: 71757582

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.323429
• LogD (pH = 7.4): 1.0355238
• Log P: 3.3328164
• Molar Refractivity: 60.904 cm^3
• Polarizability: 23.918274 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 212 - 214°C
• Hydrophobicity(logP): 3.494

Product Information

• Purity: 95%