Methyl 4-methylpiperazine-1-carboxylate
Basic information
- CAS
7560-85-2- Standard SMILES
COC(=O)N1CCN(C)CC1- InChIKey
PWPJWHXPIKDVAY-UHFFFAOYSA-N- Molecular formula
- C7H14N2O2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.10552769
Names & identifiers
- Preferred name
- Methyl 4-methylpiperazine-1-carboxylate
- IUPAC
- methyl 4-methylpiperazine-1-carboxylate
- English name
- methyl 4-methylpiperazine-1-carboxylate
- Molecular formula
- C7H14N2O2
- Molecular weight
- 158.2
Names & synonyms
methyl 4-methylpiperazine-1-carboxylate7560-85-2MFCD00583433Eszopiclone Impurity 26NSC22137methyl4-methylpiperazine-1-carboxylateZopiclone Impurity 29Zopiclone Impurity 32SCHEMBL303849SCHEMBL303850SCHEMBL361306DTXSID40281614
Show more names
1-Piperazinecarboxylic acid, 4-methyl-, methyl ester1-Piperazinecarboxylicacid,4-methyl-,methylester(7CI,8CI,9CI)
NSC-22137AKOS003854216BS-17491SY270730DB-265452F87557F4541314-methyl-1-Piperazinecarboxylic acid,, methyl ester
Database identifiers
- CAS
7560-85-2- PubChem CID
- 228930
- DTXSID
DTXSID40281614
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 116 · 116-121 °C
- Boiling point
- 170 °C · 170 °C(Press: 17 Torr)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.89 · 6.89±0.10(Predicted)
- Comptox DTXSID
- 40281614 · DTXSID40281614
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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