7-amino-4-methyl-1,2-dihydroquinolin-2-one

• ChemBase ID: 113172
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c12[nH]c(=O)cc(c1ccc(c2)N)C
• Canonical SMILES: Nc1ccc2c(c1)[nH]c(=O)cc2C
• InChI: InChI=1S/C10H10N2O/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3,(H,12,13)
• InChIKey: MJXYFLJHTUSJGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-amino-4-methyl-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 7-amino-4-methyl-1H-quinolin-2-one
• Synonyms: 7-Amino-4-methyl-2-hydroxyquinoline; 7-Amino-4-methyl-2(1H)-quinolinone; Carbostyril 124; 7-Amino-4-methyl-carbostyril; 2-Hydroxy-4-methyl-7-aminoquinoline; 4-Methyl-7-aminocarbostyril; 7-Amino-2-hydroxy-4-methylquinoline; Carbostyryl 7; Carbostyril 124; 7-amino-4-methylquinolin-2(1H)-one; 7-amino-4-methyl-2(1H)-quinolinone; 7-氨基-4-甲基-2-喹啉酮; 喹诺酮 124

Database IDs

• CAS Number: 19840-99-4
• EC Number: 243-363-2
• MDL Number: MFCD00134256
• PubChem SID: 162097882; 24862190
• PubChem CID: 88277

CALCULATED PROPERTIES

• Acid pKa: 13.746009
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.061112
• LogD (pH = 7.4): 1.0675284
• Log P: 1.067611
• Molar Refractivity: 54.2616 cm^3
• Polarizability: 19.128496 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Off-White to Tan Solid
• Melting Point: >275°C (dec.); 278-280 °C(lit.)
• Partition Coefficient: 1.537
• Absorption Wavelength: λmax 350 nm

Safety Information

• Storage Condition: Refrigerator
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 99%
• Empirical Formula (Hill Notation): C10H10N2O
• Classification: Derivatives & analogs of Natural Compounds

DETAILS

Sigma Aldrich - 363308

Application
Suitable as a laser dye
Packaging
100, 500 mg in glass bottle

Toronto Research Chemicals - C177650

Suitable as a laser dye.