CAS No.20348-21-4,2,2-dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20348-21-4
Name:	2,2-dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one
Article Data:	6

Formula:	C₉H₁₀N₂O₂
Molecular Weight:	178.191
Synonyms:	2,2-Dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one;2,2-Dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one;
EINECS:	243-753-2
Density:	1.176 g/cm³
Boiling Point:	352.513 °C at 760 mmHg
Flash Point:	167 °C
PSA:	51.22000
LogP:	1.32910

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Specification

The 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 2,2-dimethyl-, with the CAS registry number 20348-21-4, is also known as 2,2-Dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one. Its EINECS number is 243-753-2. This chemical's molecular formula is C₉H₁₀N₂O₂ and molecular weight is 178.19. What's more, its systematic name is 2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one.

Physical properties of 2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 2,2-dimethyl- are: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.784; (4)ACD/LogD (pH 7.4): 0.785; (5)ACD/BCF (pH 5.5): 2.321; (6)ACD/BCF (pH 7.4): 2.325; (7)ACD/KOC (pH 5.5): 63.559; (8)ACD/KOC (pH 7.4): 63.66; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.22 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 46.312 cm³; (15)Molar Volume: 151.475 cm³; (16)Polarizability: 18.359×10^-24cm³; (17)Surface Tension: 38.855 dyne/cm; (18)Density: 1.176 g/cm³; (19)Flash Point: 166.994 °C; (20)Enthalpy of Vaporization: 59.734 kJ/mol; (21)Boiling Point: 352.513 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C(=O)Nc2c(cccn2)O1)C
(2)InChI: InChI=1S/C9H10N2O2/c1-9(2)8(12)11-7-6(13-9)4-3-5-10-7/h3-5H,1-2H3,(H,10,11,12)
(3)InChIKey: DMLNXUUGRSBBBR-UHFFFAOYSA-N