Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,4(1H,3H)-Quinazolinedione,1-methyl- |
EINECS | N/A |
CAS No. | 604-50-2 | Density | 1.292 g/cm3 |
PSA | 54.86000 | LogP | 0.22680 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H8N2O2 | Boiling Point | N/A |
Molecular Weight | 176.175 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 34 |
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. |