2-methylquinolin-4-amine

• ChemBase ID: 147980
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: Cc1cc(c2ccccc2n1)N
• Canonical SMILES: Cc1cc(N)c2c(n1)cccc2
• InChI: InChI=1S/C10H10N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3,(H2,11,12)
• InChIKey: COCFIBRMFPWUDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylquinolin-4-amine
• IUPAC Traditional name: 2-methyl-quinolin-4-ylamine
• Synonyms: 4-Amino-2-methylquinoline; 4-Aminoquinaldine; 4-Aminoquinaldine; 4-Amino-2-methylquinoline; 4-AMINOQUINALDINE; 4-氨基-2-甲基喹啉; 4-氨基喹哪啶; 4-氨基-2-甲基喹啉

Database IDs

• CAS Number: 6628/4/2; 6628-04-2
• EC Number: 229-604-4
• MDL Number: MFCD00006759
• Beilstein Number: 118323
• PubChem SID: 162242160; 24891290; 24846050
• PubChem CID: 81116

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.36093894
• LogD (pH = 7.4): 0.15488745
• Log P: 1.4333447
• Molar Refractivity: 49.2712 cm^3
• Polarizability: 19.921421 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162-166 °C(lit.); 162-166°C; 163-169 °C
• Boiling Point: 333 °C(lit.); 333°C

Safety Information

• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36/37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (NT); 98%
• Grade: purum
• Impurities: ~2% water
• Empirical Formula (Hill Notation): C10H10N2

DETAILS

Sigma Aldrich - A79000

Packaging
25 g in poly bottle
5 g in glass bottle