4(3H)-Pteridinone, 2-amino-7,8-dihydro-8-methyl- supplier

Name
2-amino-8-methyl-7,8-dihydropteridin-4(1H)-one
EINECS
CAS No. 2427-12-5
Density 1.68 g/cm³
Solubility
Melting Point
Formula C₇H₉N₅O
Boiling Point 333.3 °C at 760 mmHg
Molecular Weight 179.181
Flash Point 155.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA
LogP

4(3H)-Pteridinone, 2-amino-7,8-dihydro-8-methyl- Specification

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

Product Name

2-amino-8-methyl-7,8-dihydropteridin-4(1H)-one

4(3H)-Pteridinone, 2-amino-7,8-dihydro-8-methyl- Specification

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