Ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate
Basic information
- CAS
1353878-17-7- Standard SMILES
CCOC(=O)c1cccc(N2CCN(Cc3ccccc3)CC2)n1- InChIKey
RZRSCEMCRCQYGG-UHFFFAOYSA-N- Molecular formula
- C19H23N3O2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.17902698
Names & identifiers
- Preferred name
- Ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate
- IUPAC
- ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate
Names & synonyms
ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylateRefChem:595873937-553-01353878-17-7Ethyl 6-(4-benzylpiperazin-1-yl)picolinateMFCD20921602DTXSID101143571AKOS015991548MF-0705CS-04450642-Pyridinecarboxylic acid, 6-[4-(phenylmethyl)-1-piperazinyl]-, ethyl ester
Database identifiers
- CAS
1353878-17-7- PubChem CID
- 66545192
- DTXSID
DTXSID101143571- EC Number
- 937-553-0
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 390
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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