Methyl 5-aminoisoxazole-4-carboxylate

HCID 4520536
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Basic information

CAS
145798-74-9
Standard SMILES
COC(=O)c1cnoc1N
InChIKey
SERNWBIIYUJWQS-UHFFFAOYSA-N
Molecular formula
C5H6N2O3
Average molar mass
142.11 g/mol
Monoisotopic mass
142.03784205

Names & identifiers

Preferred name
Methyl 5-aminoisoxazole-4-carboxylate
IUPAC
methyl 5-amino-1,2-oxazole-4-carboxylate
English name
4-Isoxazolecarboxylicacid,5-amino-,methylester(9CI)
Molecular formula
C5H6N2O3
Molecular weight
142.11

Names & synonyms

Methyl 5-aminoisoxazole-4-carboxylate145798-74-9Methyl 5-amino-1,2-oxazole-4-carboxylateMFCD029366554-Isoxazolecarboxylic acid, 5-amino-, methyl ester4-Isoxazolecarboxylicacid,5-amino-,methylester(9CI)Methyl5-aminoisoxazole-4-carboxylateOprea1_663460SCHEMBL13343511DTXSID20403897VFA79874AKOS005215236
Show more names
Methyl 5-aminoisoxazole-4-carboxylate AldrichCPRmethyl 5-aminoisoxazole-4-carboxylate(SALTDATA: 0.09HCl)
Methyl 5-amino-4-isoxaZolecarboxylateBS-35712DB-063628EU-0029391F81395EN300-1699775F308852Methyl 5-aminoisoxazole-4-carboxylate, AldrichCPR

Database identifiers

CAS
145798-74-9
PubChem CID
4520536
DTXSID
DTXSID20403897

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
78.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
10

Physicochemical properties

Boiling point
279.5 · 279.5±20.0 °C(Predicted)
Density
1.345 · 1.345±0.06 g/cm3(Predicted)
pka
-2.5 · -2.50±0.10(Predicted)
form
solid
InChI
1S/C5H6N2O3/c1-9-5(8)3-2-7-10-4(3)6/h2H,6H2,1H3
InChIKey
SERNWBIIYUJWQS-UHFFFAOYSA-N

Safety & regulation

Safety data

hs_code
29349990
risk_code
20/21/22
safety_code
22-24/25
Storage Class
11 - Combustible Solids

Chemistry & industry

Suppliers9 total

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
苏州信一药谷生物科技有限公司0512-65757861-8000 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]

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Compound notes

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