2499-96-9

HCID 273240
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Basic information

CAS
2499-96-9
Standard SMILES
Cc1ccc2[nH]c(=O)[nH]c(=O)c2n1
InChIKey
IBBXYTONEVNZLD-UHFFFAOYSA-N
Molecular formula
C8H7N3O2
Average molar mass
177.16 g/mol
Monoisotopic mass
177.05382646

Names & identifiers

Preferred name
2499-96-9
IUPAC
6-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
English name
4-methyl-5,8,10-triazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dione
Molecular formula
C8H7N3O2
Molecular weight
177.16

Names & synonyms

2499-96-96-Methylpyrido[3,2-d]pyrimidine-2,4(1H,3H)-dioneDTXSID602978136-Methylpyrido(3,2-d)pyrimidine-2,4(1H,3H)-dioneRefChem:267483DTXCID50248950Pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione, 6-methyl-6-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dioneNSC118330SCHEMBL1725141SCHEMBL2271318Pyrido[3,4-diol, 6-methyl-
Show more names
4-methyl-5,8,10-triazabicyclo[4.4.0]deca-2,4,11-triene-7,9-dioneNSC 118330NSC-118330Pyrido[3,4(1H,3H)-dione, 6-methyl-DB-3596592,4-dioxo-6-methylpyrido[3,2-d]pyrimidine2,4-dioxo-6-methylpyrido-[3,2-d]pyrimidine2,4-Dihydroxy-6-methylpyrido[3,2-d]pyrimidine

Database identifiers

CAS
2499-96-9
PubChem CID
273240
DTXSID
DTXSID60297813
Nikkaji
J139.563G

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
71.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

Melting point
370 °C · >370 °C
Density
1.354 · 1.354±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
9.87 · 9.87±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers13 total

山东洛克化工有限公司17653113209 13065062079 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
西安新诺化学科技有限公司15332490153 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]

Related reactions

20 records
New reaction record

Compound notes

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