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Name |
4(3H)-Pteridinone, 2-amino-7,8-dihydro-8-methyl- |
EINECS | N/A |
CAS No. | 2427-12-5 | Density | 1.68 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H9N5O | Boiling Point | 333.3 °C at 760 mmHg |
Molecular Weight | 179.181 | Flash Point | 155.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4(1H)-Pteridinone, 2-amino-7,8-dihydro-8-methyl- (9CI);4(3H)-Pteridinone, 2-amino-7,8-dihydro-8-methyl- (7CI,8CI);NSC295414; |
The 4(3H)-Pteridinone, 2-amino-7,8-dihydro-8-methyl-, with the CAS registry number 2427-12-5, is also known as 2-Amino-8-methyl-7,8-dihydropteridin-4(1H)-one. It belongs to the product category of Piperidine. This chemical's molecular formula is C7H9N5O and molecular weight is 179.1793. What's more, its IUPAC name is called 2-Amino-8-methyl-1,7-dihydropteridin-4-one.
Physical properties about 4(3H)-Pteridinone, 2-amino-7,8-dihydro-8-methyl- are: (1)ACD/LogP: -2.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 51.51 Å2; (7)Index of Refraction: 1.798; (8)Molar Refractivity: 45.4 cm3; (9)Molar Volume: 106.3 cm3; (10)Surface Tension: 75.7 dyne/cm; (11)Density: 1.68 g/cm3; (12)Flash Point: 155.4 °C; (13)Enthalpy of Vaporization: 57.62 kJ/mol; (14)Boiling Point: 333.3 °C at 760 mmHg; (15)Vapour Pressure: 0.000138 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\N=C(/NC=1N(C\C=N/C=12)C)N
(2) InChI: InChI=1/C7H9N5O/c1-12-3-2-9-4-5(12)10-7(8)11-6(4)13/h2H,3H2,1H3,(H3,8,10,11,13)
(3) InChIKey: NJYUAWHEKRBMQB-UHFFFAOYAH