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

• ChemBase ID: 267850
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: C1(c2c(CCC1)cccc2)(N)C.Cl
• Canonical SMILES: CC1(N)CCCc2c1cccc2.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-11(12)8-4-6-9-5-2-3-7-10(9)11;/h2-3,5,7H,4,6,8,12H2,1H3;1H
• InChIKey: QIXVYEWDDGRQHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• IUPAC Traditional name: 1-methyl-3,4-dihydro-2H-naphthalen-1-amine hydrochloride
• Synonyms: 1-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

Database IDs

• MDL Number: MFCD16547660
• PubChem SID: 164323760
• PubChem CID: 47003134

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6502353
• LogD (pH = 7.4): -0.09772842
• Log P: 2.368384
• Molar Refractivity: 51.3514 cm^3
• Polarizability: 20.307539 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 2.586

Product Information

• Purity: 95%