Pyrido[2,3-b]pyrazine-2,3-dione,1,4-dihydro- supplier

Name
1,4-DIHYDRO-PYRIDO[2,3-B]PYRAZINE-2,3-DIONE
EINECS 218-186-9
CAS No. 2067-84-7
Article Data20
CAS DataBase
Density 1.424 g/cm³
Solubility
Melting Point >300 °C
Formula C₇H₅N₃O₂
Boiling Point
Molecular Weight 163.136
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrido[2,3-b]pyrazine-2,3-diol(7CI);1,4-Dihydropyrido[2,3-b]pyrazine-2,3-dione;2,3-Dihydroxy-1,4,5-triazanaphthalene;2,3-Dihydroxypyrido[2,3-b]pyrazine;NSC 91561;
PSA 78.61000
LogP -0.38860

Pyrido[2,3-b]pyrazine-2,3-dione,1,4-dihydro- Specification

The Pyrido[2, 3-b]pyrazine-2, 3-dione, 1, 4-dihydro-, with the CAS registry number 2067-84-7, is also known as Pyrido[2, 3-b]pyrazine-2, 3-diol. And its EINECS registry number is 218-186-9. This chemical's molecular formula is C₇H₅N₃O₂ and molecular weight is 163.13. What's more, its IUPAC name is 1, 4-Dihydropyrido[2, 3-b]pyrazine-2, 3-dione.

Physical properties about Pyrido[2, 3-b]pyrazine-2, 3-dione, 1, 4-dihydro- are: (1)ACD/LogP: -1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.29; (4)ACD/LogD (pH 7.4): -1.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.72; (8)ACD/KOC (pH 7.4): 4.55; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 53.51 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 38.86 cm³; (15)Molar Volume: 114.5 cm³; (16)Polarizability: 15.4×10^-24 cm³; (17)Surface Tension: 57 dyne/cm; (18)Density: 1.424 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2Nc1c(nccc1)NC2=O
(2) InChI: InChI=1/C7H5N3O2/c11-6-7(12)10-5-4(9-6)2-1-3-8-5/h1-3H,(H,9,11)(H,8,10,12)
(3) InChIKey: ZTCJWOFMAWQWRD-UHFFFAOYAX

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	320mg/kg (320mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02790,

Product Name

1,4-DIHYDRO-PYRIDO[2,3-B]PYRAZINE-2,3-DIONE

Pyrido[2,3-b]pyrazine-2,3-dione,1,4-dihydro- Specification

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