2-methylquinolin-6-amine

• ChemBase ID: 14139
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c12c(nc(cc2)C)ccc(c1)N
• Canonical SMILES: Nc1ccc2c(c1)ccc(n2)C
• InChI: InChI=1S/C10H10N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,11H2,1H3
• InChIKey: TYJFYUVDUUACKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylquinolin-6-amine
• IUPAC Traditional name: 2-methylquinolin-6-amine
• Synonyms: 2-methylquinolin-6-amine; 6-Aminoquinaldine; 6-Amino-2-methylquinoline; 6-Amino-2-methylquinoline; 6-氨基-2-甲基喹啉

Database IDs

• CAS Number: 65079-19-8
• EC Number: 000-000-0
• MDL Number: MFCD00052600
• Beilstein Number: 114795
• PubChem SID: 160977446
• PubChem CID: 103148

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0361202
• LogD (pH = 7.4): 1.4250666
• Log P: 1.4333447
• Molar Refractivity: 49.2712 cm^3
• Polarizability: 19.92465 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189-191°C; 189-191°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97%