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

• ChemBase ID: 286375
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: c12c(ccc(c1)OC)CCCC2N.Cl
• Canonical SMILES: COc1ccc2c(c1)C(N)CCC2.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9;/h5-7,11H,2-4,12H2,1H3;1H
• InChIKey: XEVOHMWMOYSWMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• IUPAC Traditional name: 7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• Synonyms: 7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

Database IDs

• CAS Number: 111758-82-8
• MDL Number: MFCD08544187
• PubChem SID: 180671906
• PubChem CID: 20189907

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0731505
• LogD (pH = 7.4): -0.28220484
• Log P: 1.9301358
• Molar Refractivity: 53.1764 cm^3
• Polarizability: 20.939323 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): 1.986

Product Information

• Purity: 95%; 97%