2,3-Dimethyl-3H-quinazolin-4-one supplier

Name
2,3-Dimethyl-3H-quinazolin-4-one
EINECS
CAS No. 1769-25-1
Article Data46
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀N₂O
Boiling Point 303 °C at 760 mmHg
Molecular Weight 174.202
Flash Point 137 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3-Dimethyl-4(3H)-quinazolinone;5-24-03-00127 (Beilstein Handbook Reference);B 265;4(3H)-Quinazolinone, 2,3-dimethyl-;2,3-Dimethyl-chinazolinone(4) [German];Dimethylquinazolone;2,3-dimethylquinazolin-4-one;
PSA 34.89000
LogP 1.24190

2,3-Dimethyl-3H-quinazolin-4-one Specification

The 2,3-Dimethyl-3H-quinazolin-4-one, with the CAS registry number 1769-25-1, is also known as 4(3H)-Quinazolinone, 2,3-dimethyl-. This chemical's molecular formula is C₁₀H₁₀N₂O and formula weight is 174.20. What's more, its IUPAC name is called 2,3-dimethylquinazolin-4-one. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of 2,3-Dimethyl-3H-quinazolin-4-one: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.93; (6)ACD/BCF (pH 7.4): 3.95; (7)ACD/KOC (pH 5.5): 92.63; (8)ACD/KOC (pH 7.4): 93.1; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 51.02 cm³; (14)Molar Volume: 147.5 cm³; (15)Surface Tension: 41.9 dyne/cm; (16)Density: 1.18 g/cm³; (17)Flash Point: 137 °C; (18)Enthalpy of Vaporization: 54.32 kJ/mol; (19)Boiling Point: 303 °C at 760 mmHg; (20)Vapour Pressure: 0.000957 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC2=CC=CC=C2C(=O)N1C
(2)InChI: InChI=1S/C10H10N2O/c1-7-11-9-6-4-3-5-8(9)10(13)12(7)2/h3-6H,1-2H3
(3)InChIKey: DCKUAHKIBNUXHX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	85mg/kg (85mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: STIFFNESS	Indian Journal of Medical Research. Vol. 69, Pg. 1008, 1979.
mouse	LD50	oral	> 200mg/kg (200mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 688, 1963.

Product Name

2,3-Dimethyl-3H-quinazolin-4-one

2,3-Dimethyl-3H-quinazolin-4-one Specification

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