2,4(1H,3H)-Pteridinedione,7-amino-1,3-dimethyl- supplier

Name
7-amino-1,3-dimethyl-2,4(1H,3H)-pteridinedione
EINECS
CAS No. 7464-70-2
Article Data5
CAS DataBase
Density 1.478 g/cm³
Solubility
Melting Point
Formula C₈H₉N₅O₂
Boiling Point 474.4 °C at 760 mmHg
Molecular Weight 207.192
Flash Point 240.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Lumazine,7-amino-1,3-dimethyl- (8CI);7-Amino-1,3-dimethyllumazine;NSC 400022;7-amino-1,3-dimethylpteridine-2,4(1H,3H)-dione;
PSA 95.80000
LogP -0.80940

2,4(1H,3H)-Pteridinedione,7-amino-1,3-dimethyl- Specification

The 2,4(1H,3H)-Pteridinedione,7-amino-1,3-dimethyl-, with the CAS registry number 7464-70-2, has the systematic name of 7-amino-1,3-dimethylpteridine-2,4(1H,3H)-dione. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₉N₅O₂.

The characteristics of 2,4(1H,3H)-Pteridinedione,7-amino-1,3-dimethyl- are as followings: (1)ACD/LogP: -0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 10.39; (6)ACD/KOC (pH 7.4): 10.39; (7)#H bond acceptors: 7; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 69.64 Å²; (11)Index of Refraction: 1.649; (12)Molar Refractivity: 51.04 cm³; (13)Molar Volume: 140 cm³; (14)Polarizability: 20.23×10^-24cm³; (15)Surface Tension: 76.7 dyne/cm; (16)Density: 1.478 g/cm³; (17)Flash Point: 240.7 °C; (18)Enthalpy of Vaporization: 73.77 kJ/mol; (19)Boiling Point: 474.4 °C at 760 mmHg; (20)Vapour Pressure: 3.62E-09 mmHg at 25°C.

Uses of 2,4(1H,3H)-Pteridinedione,7-amino-1,3-dimethyl-: It can react with propionaldehyde to produce 7-amino-1,3-dimethyl-6-propionyl-1H-pteridine-2,4-dione. This reaction will need reagent FeSO₄^.7H₂O and tBuOOH, and the menstruum acetic acid, H₂O and H₂SO₄. The reaction time is 10 minutes with ambient temperature, and the yield is about 32%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2c1ncc(nc1N(C(=O)N2C)C)N
(2)InChI: InChI=1/C8H9N5O2/c1-12-6-5(10-3-4(9)11-6)7(14)13(2)8(12)15/h3H,1-2H3,(H2,9,11)
(3)InChIKey: JPEC-UHFFFAOYAP

Product Name

7-amino-1,3-dimethyl-2,4(1H,3H)-pteridinedione

2,4(1H,3H)-Pteridinedione,7-amino-1,3-dimethyl- Specification

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