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

• ChemBase ID: 18983
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: c12c(cc(cc1)OC)CCCC2N.Cl
• Canonical SMILES: COc1ccc2c(c1)CCCC2N.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12;/h5-7,11H,2-4,12H2,1H3;1H
• InChIKey: DGIFWWPVOFOTLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• IUPAC Traditional name: 6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• Synonyms: 6-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylamine hydrochloride

Database IDs

• CAS Number: 39226-88-5
• MDL Number: MFCD01712013
• PubChem SID: 160982290
• PubChem CID: 16640671

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0776603
• LogD (pH = 7.4): -0.34345183
• Log P: 1.9301358
• Molar Refractivity: 53.1764 cm^3
• Polarizability: 20.93997 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%