Basic information
- CAS
154315-70-5- Standard SMILES
CCOC(=O)c1cccnc1N1CCNCC1- InChIKey
OYJQNNFWBRLZIU-UHFFFAOYSA-N- Molecular formula
- C12H17N3O2
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.13207679
Names & identifiers
- Preferred name
- Ethyl 2-(piperazin-1-yl)nicotinate
- IUPAC
- ethyl 2-piperazin-1-ylpyridine-3-carboxylate
- English name
- Ethyl 2-(1-piperazinyl)pyridine-3-carboxylate
- Molecular formula
- C12H17N3O2
- Molecular weight
- 235.28
Names & synonyms
ethyl 2-(piperazin-1-yl)nicotinate154315-70-5Ethyl 2-piperazin-1-ylpyridine-3-carboxylateETHYL 2-(1-PIPERAZINYL)PYRIDINE-3-CARBOXYLATEETHYL 2-(PIPERAZIN-1-YL)PYRIDINE-3-CARBOXYLATESCHEMBL2454645DTXSID10469503OYJQNNFWBRLZIU-UHFFFAOYSA-Nethyl2-(piperazin-1-yl)nicotinateAKOS000146264DB-0147862-(1-piperazinyl)-3-pyridinecarboxylic acid ethyl ester
Show more names
2-Piperazin-1-yl-nicotinic acid ethyl ester3-Pyridinecarboxylic acid, 2-(1-piperazinyl)-, ethyl ester
Database identifiers
- CAS
154315-70-5- PubChem CID
- 11615598
- DTXSID
DTXSID10469503
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 390.6 · 390.6±37.0 °C(Predicted)
- Density
- 1.145 · 1.145±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.43 · 8.43±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers1 total
上海遐瑞医药科技有限公司+86 21 61551611
Related reactions
7 records
Compound notes
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