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

• ChemBase ID: 795977
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: c1(cc2c(cc1)CCC(N2)(C)C)N
• Canonical SMILES: CC1(C)CCc2c(N1)cc(cc2)N
• InChI: InChI=1S/C11H16N2/c1-11(2)6-5-8-3-4-9(12)7-10(8)13-11/h3-4,7,13H,5-6,12H2,1-2H3
• InChIKey: LNNIPFBSWGVRIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-1,2,3,4-tetrahydroquinolin-7-amine
• IUPAC Traditional name: 2,2-dimethyl-3,4-dihydro-1H-quinolin-7-amine
• Synonyms: 7-amino-1,2,3,4-tetrahydro-2,2-dimethylquinoline

Database IDs

• CAS Number: 179899-22-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5145142
• LogD (pH = 7.4): 1.7937181
• Log P: 1.7987069
• Molar Refractivity: 57.9198 cm^3
• Polarizability: 21.023947 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%