1-methyl-1,2,3,4-tetrahydroquinolin-7-amine hydrochloride

• ChemBase ID: 66845
• Molecular Formular: C10H15ClN2
• Molecular Mass: 198.6925
• Monoisotopic Mass: 198.09237617
• SMILES: N1(CCCc2ccc(cc12)N)C.Cl
• Canonical SMILES: Nc1ccc2c(c1)N(C)CCC2.Cl
• InChI: InChI=1S/C10H14N2.ClH/c1-12-6-2-3-8-4-5-9(11)7-10(8)12;/h4-5,7H,2-3,6,11H2,1H3;1H
• InChIKey: LPBQFAWSKKXLRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1,2,3,4-tetrahydroquinolin-7-amine hydrochloride
• IUPAC Traditional name: 1-methyl-3,4-dihydro-2H-quinolin-7-amine hydrochloride
• Synonyms: 7-Amino-N-methyl-1,2,3,4-tetrahydroquinoline hydrochloride

Database IDs

• CAS Number: 927684-97-7
• MDL Number: MFCD09839668
• PubChem SID: 162032581
• PubChem CID: 24820541

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4142547
• LogD (pH = 7.4): 1.7308192
• Log P: 1.7368209
• Molar Refractivity: 53.0976 cm^3
• Polarizability: 19.177847 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%