2,4(1H,3H)-Quinazolinedione,1-methyl- supplier

Name
1-methylquinazoline-2,4(1H,3H)-dione
EINECS
CAS No. 604-50-2
Article Data34
CAS DataBase
Density 1.292 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₂
Boiling Point
Molecular Weight 176.175
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,3,4-Tetrahydro-1-methyl-2,4-dioxoquinazoline;1-Methyl-2,4(1H,3H)-quinazolinedione;1-Methyl-2,4-quinazolinedione;Glycosmicine;NSC 401254;
PSA 54.86000
LogP 0.22680

2,4(1H,3H)-Quinazolinedione,1-methyl- Specification

The 2,4(1H,3H)-Quinazolinedione,1-methyl-, with the CAS registry number 604-50-2, is also known as Methyl-1 (1H,3H)quinazolinedione-2,4. This chemical's molecular formula is C₉H₈N₂O₂ and molecular weight is 176.172. Its IUPAC name is called 1-methylquinazoline-2,4-dione.

Physical properties of 2,4(1H,3H)-Quinazolinedione,1-methyl-: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/LogD (pH 7.4): 0.7; (5)ACD/BCF (pH 5.5): 1.99; (6)ACD/BCF (pH 7.4): 1.99; (7)ACD/KOC (pH 5.5): 57.01; (8)ACD/KOC (pH 7.4): 57; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 45.69 cm³; (14)Molar Volume: 136.3 cm³; (15)Surface Tension: 47.2 dyne/cm; (16)Density: 1.292 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C2=CC=CC=C2C(=O)NC1=O
(2)InChI: InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(12)10-9(11)13/h2-5H,1H3,(H,10,12,13)
(3)InChIKey: RWFOOMQYIRITHL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	400mg/kg (400mg/kg)		Chimica Therapeutica. Vol. 3, Pg. 100, 1968.

Product Name

1-methylquinazoline-2,4(1H,3H)-dione

2,4(1H,3H)-Quinazolinedione,1-methyl- Specification

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