Basic information
- CAS
68373-11-5- Standard SMILES
NCCn1oc(=O)[nH]c1=O- InChIKey
LIPCXBVXQUFCSC-UHFFFAOYSA-N- Molecular formula
- C4H7N3O3
- Average molar mass
- 145.12 g/mol
- Monoisotopic mass
- 145.04874109
Overview
decarboxylated analog of quisqualic acid; structure
Names & identifiers
- Preferred name
- 2-(2-Aminoethyl)-1,2,4-oxadiazolidine-3,5-dione
- IUPAC
- 2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione
- English name
- 2-(2-Amino-ethyl)-[1,2,4]oxadiazolidine-3,5-dione
- Molecular formula
- C4H7N3O3
- Molecular weight
- 145.12
Names & synonyms
Quisqualamine68373-11-52-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dionePJ4RW6N4EADTXSID602185031,2,4-Oxadiazolidine-3,5-dione, 2-(2-aminoethyl)-RefChem:178393DTXCID40140994UNII-PJ4RW6N4EABiomol-NT_000262BPBio1_000903CHEMBL129648
Show more names
2-(2-Amino-ethyl)-[1,2,4]oxadiazolidine-3,5-dione
SCHEMBL12648453SCHEMBL19816948AKOS006275276NCGC00163286-01Q7272628
Database identifiers
- CAS
68373-11-5- PubChem CID
- 3085372
- DTXSID
DTXSID60218503- ChEMBL
CHEMBL129648- UNII
- PJ4RW6N4EA
- Nikkaji
- J184.438E
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- FDA UNII
- 4 RW6N4EA · PJ4RW6N4EA
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
TYGER[email protected]
上海洛茵氟化工有限公司[email protected]
MPBIO-FINE—
MOLEKULA[email protected]
先进技术工业有限公司[email protected]
FULCRUM—
Service Chemical Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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