Basic information
- CAS
921222-12-0- Standard SMILES
CCOC(=O)c1c(N2CCCC2)ccc(N)c1N- InChIKey
HRVNUGFSCVITPY-UHFFFAOYSA-N- Molecular formula
- C13H19N3O2
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.14772686
Names & identifiers
- Preferred name
- Ethyl 2,3-diamino-6-(pyrrolidin-1-yl)benzoate
- IUPAC
- ethyl 2,3-diamino-6-pyrrolidin-1-ylbenzoate
Names & synonyms
921222-12-0Ethyl 2,3-diamino-6-(pyrrolidin-1-yl)benzoateSCHEMBL2932033DTXSID90738360
Database identifiers
- CAS
921222-12-0- PubChem CID
- 68445877
- DTXSID
DTXSID90738360
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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