Ethyl 4-amino-1,2,5-oxadiazole-3-carboxylate

HCID 1244576
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Basic information

CAS
17376-63-5
Standard SMILES
CCOC(=O)c1nonc1N
InChIKey
JBXJNHVAOUVZML-UHFFFAOYSA-N
Molecular formula
C5H7N3O3
Average molar mass
157.13 g/mol
Monoisotopic mass
157.04874108

Names & identifiers

Preferred name
Ethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
IUPAC
ethyl 4-amino-1,2,5-oxadiazole-3-carboxylate
English name
ethyl 4-amino-1,2,5-oxadiazole-3-carboxylate(SALTDATA: FREE)
Molecular formula
C5H7N3O3
Molecular weight
157.13

Names & synonyms

ethyl 4-amino-1,2,5-oxadiazole-3-carboxylate17376-63-5DTXSID40361344RefChem:343814DTXCID603123934-Amino-furazan-3-carboxylic acid ethyl ester1,2,5-Oxadiazole-3-carboxylic acid, 4-amino-, ethyl esterMFCD00465050Ethyl4-amino-1,2,5-oxadiazole-3-carboxylateTimTec1_000277Oprea1_578127SCHEMBL5360316
Show more names
4-amino-1,2,5-oxadiazole-3-carboxylic acid ethyl ester
HMS1534M13SY014311ethyl 4-amino-1,2,5-oxadiazole-3-carboxylate(SALTDATA: FREE)AMY9320BB 0219899FT-0677192Oprea1_4851504-amino-3-ethoxycarbonylfurazan

Database identifiers

CAS
17376-63-5
PubChem CID
1244576
DTXSID
DTXSID40361344
EC Number
881-222-2

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
91.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
11

Physicochemical properties

Boiling point
268 · 268.0±43.0 °C(Predicted)
Density
1.362 · 1.362±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka
-0.93 · -0.93±0.47(Predicted)
Appearance
White to off-white Solid
InChI
InChI=1S/C5H7N3O3/c1-2-10-5(9)3-4(6)8-11-7-3/h2H2,1H3,(H2,6,8)

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Upstream & downstream products

Suppliers47 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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