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Pyrido[2,3-d]pyrimidin-4(3H)-one,5,7-dimethyl-

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Name

Pyrido[2,3-d]pyrimidin-4(3H)-one,5,7-dimethyl-

EINECS N/A
CAS No. 1913-72-0 Density 1.34 g/cm3
PSA 58.64000 LogP 0.93490
Solubility N/A Melting Point 330 °C
Formula C9H9N3O Boiling Point 361.8 °C at 760 mmHg
Molecular Weight 175.19 Flash Point 172.6 °C
Transport Information N/A Appearance light beige amorphous powder
Safety 36/37 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 1913-72-0 (5,7-DIMETHYLPYRIDO[2,3-D]PYRIMIDIN-4(3H)-ONE) Hazard Symbols HarmfulXn
Synonyms

Pyrido[2,3-d]pyrimidin-4-ol,5,7-dimethyl- (6CI,7CI,8CI);

 

Pyrido[2,3-d]pyrimidin-4(3H)-one,5,7-dimethyl- Specification

The Pyrido[2, 3-d]pyrimidin-4(3H)-one, 5, 7-dimethyl-, with the CAS registry number 1913-72-0, is also known as 5, 7-Dimethylpyrido[2, 3-d]pyrimidin-4(3H)-one. This chemical's molecular formula is C9H9N3O and molecular weight is 175.19. What's more, its systematic name is 5, 7-Dimethylpyrido[2, 3-d]pyrimidin-4(1H)-one. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact strong oxidant and incompatible material.

Physical properties about Pyrido[2, 3-d]pyrimidin-4(3H)-one, 5, 7-dimethyl- are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.36; (8)ACD/KOC (pH 7.4): 30.44; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 45.56 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 48.56 cm3; (15)Molar Volume: 130 cm3; (16)Polarizability: 19.25×10-24 cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 172.6 °C; (20)Enthalpy of Vaporization: 60.76 kJ/mol; (21)Boiling Point: 361.8 °C at 760 mmHg; (22)Vapour Pressure: 2.02E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. In addition, it may cause damage to health. During using it, you should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\N=C/Nc1nc(cc(c12)C)C
(2) InChI: InChI=1/C9H9N3O/c1-5-3-6(2)12-8-7(5)9(13)11-4-10-8/h3-4H,1-2H3,(H,10,11,12,13)
(3) InChIKey: HWGAGILTAOQBPD-UHFFFAOYAD

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