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

• ChemBase ID: 31676
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: c12N(CCCc2ccc(c1)N)C
• Canonical SMILES: Nc1ccc2c(c1)N(C)CCC2
• InChI: InChI=1S/C10H14N2/c1-12-6-2-3-8-4-5-9(11)7-10(8)12/h4-5,7H,2-3,6,11H2,1H3
• InChIKey: OMGAOBAAEGMMTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1,2,3,4-tetrahydroquinolin-7-amine
• IUPAC Traditional name: 1-methyl-3,4-dihydro-2H-quinolin-7-amine
• Synonyms: 1-Methyl-1,2,3,4-tetrahydro-quinolin-7-ylamine; 1-methyl-1,2,3,4-tetrahydroquinolin-7-amine

Database IDs

• CAS Number: 304690-94-6
• MDL Number: MFCD08063883
• PubChem SID: 160994983
• PubChem CID: 11217421

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