(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine

• ChemBase ID: 30937
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: c12N(CCCc1cc(cc2)CN)C
• Canonical SMILES: NCc1ccc2c(c1)CCCN2C
• InChI: InChI=1S/C11H16N2/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13/h4-5,7H,2-3,6,8,12H2,1H3
• InChIKey: YWWOJPNCKNCDOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
• IUPAC Traditional name: (1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
• Synonyms: 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine; (1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine; C-(1-Methyl-1,2,3,4-tetrahydro-quinolin-6-yl)-methylamine

Database IDs

• CAS Number: 797807-54-6
• MDL Number: MFCD05864543
• PubChem SID: 160994244
• PubChem CID: 1112172

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3657074
• LogD (pH = 7.4): -0.50028783
• Log P: 1.6915153
• Molar Refractivity: 56.8706 cm^3
• Polarizability: 21.41898 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.923

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%