Methyl 1-acetylpiperazine-2-carboxylate
Basic information
- CAS
171504-96-4- Standard SMILES
COC(=O)C1CNCCN1C(C)=O- InChIKey
QSVNWNACIFWWIP-UHFFFAOYSA-N- Molecular formula
- C8H14N2O3
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.10044231
Names & identifiers
- Preferred name
- Methyl 1-acetylpiperazine-2-carboxylate
- IUPAC
- methyl 1-acetylpiperazine-2-carboxylate
- English name
- 2-Piperazinecarboxylicacid,1-acetyl-,methylester(9CI)
- Molecular formula
- C8H14N2O3
- Molecular weight
- 186.21
Names & synonyms
METHYL 1-ACETYLPIPERAZINE-2-CARBOXYLATE171504-96-4DTXSID00668301RefChem:353302DTXCID006190501-Acetyl-piperazine-2-carboxylic acid methyl ester2-Piperazinecarboxylicacid,1-acetyl-,methylester(9CI)MFCD21098313SCHEMBL15432009AKOS023806524DS-18805CS-0448233
Show more names
2-Piperazinecarboxylic acid, 1-acetyl-, methyl ester
METHYL1-ACETYLPIPERAZINE-2-CARBOXYLATEC73300EN300-2641261
Database identifiers
- CAS
171504-96-4- PubChem CID
- 45115682
- DTXSID
DTXSID00668301
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 320.1 · 320.1±42.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 7.3 · 7.30±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS02
- Signal word
- Danger
- Hazard statements
- 320 · H320-H370-H336-H225
- Precautionary statements
- 501 · P501-P260-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P308+P311-P303+P361+P353-P304+P340+P312-P403+P233-P403+P235-P405
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
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS02
- Hazard statements
- H320-H370-H336-H225
- Precautionary statements
- P501-P260-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P308+P311-P303+P361+P353-P304+P340+P312-P403+P233-P403+P235-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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