Ethyl 4-[(3-amino-2-hydroxyiminopropyl)amino]benzoate
Basic information
- CAS
23852-97-3- Standard SMILES
CCOC(=O)c1ccc(NCC(CN)=NO)cc1- InChIKey
RXTNMLUPCVQUKL-UHFFFAOYSA-N- Molecular formula
- C12H17N3O3
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.12699141
Names & identifiers
- Preferred name
- Ethyl 4-[(3-amino-2-hydroxyiminopropyl)amino]benzoate
- IUPAC
- ethyl 4-[(3-amino-2-hydroxyiminopropyl)amino]benzoate
Names & synonyms
23852-97-3ethyl 4-[(3-amino-2-hydroxyiminopropyl)amino]benzoateethyl 4-{[3-amino-2-(hydroxyimino)propyl]amino}benzoateDTXSID10298173
Database identifiers
- CAS
23852-97-3- PubChem CID
- 274902
- DTXSID
DTXSID10298173
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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