Ethyl 4,5-diaminopicolinate
Basic information
- CAS
1000783-11-8- Standard SMILES
CCOC(=O)c1cc(N)c(N)cn1- InChIKey
XFGYUNVIMSXNNA-UHFFFAOYSA-N- Molecular formula
- C8H11N3O2
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.0851266
Names & identifiers
- Preferred name
- Ethyl 4,5-diaminopicolinate
- IUPAC
- ethyl 4,5-diaminopyridine-2-carboxylate
- English name
- 4,5-Diaminopyridine-2-carboxylic acid ethyl ester
- Molecular formula
- C8H11N3O2
- Molecular weight
- 181.19
Names & synonyms
Ethyl 4,5-diaminopicolinate1000783-11-8ETHYL 4,5-DIAMINOPYRIDINE-2-CARBOXYLATEEthyl4,5-diaminopicolinateSCHEMBL41011DTXSID80635839XFGYUNVIMSXNNA-UHFFFAOYSA-NMFCD13181796AKOS015891881AB66689DB-082943CS-0340021
Show more names
4,5-Diaminopyridine-2-carboxylic acid ethyl ester4,5-Diamino-2-pyridinecarboxylic acid ethyl ester2-Pyridinecarboxylic acid, 4,5-diaMino-, ethyl ester
Database identifiers
- CAS
1000783-11-8- PubChem CID
- 23729675
- DTXSID
DTXSID80635839
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 426.8 · 426.8±40.0 °C(Predicted)
- Density
- 1.279 · 1.279
- storage temp.
- 2 · 2-8°C
- pka
- 5.42 · 5.42±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…