cis-(6-Ethoxycarbonylmethyl-1-methylpiperazin-2-yl)acetic acid ethyl ester acetate
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Basic information
- CAS
1149624-33-8- Standard SMILES
CC(=O)O.CCOC(=O)C[C@H]1CNC[C@@H](CC(=O)OCC)N1C- InChIKey
FNOXQUTUTLFFHB-NJJJQDLFSA-N- Molecular formula
- C15H28N2O6
- Average molar mass
- 332.39 g/mol
- Monoisotopic mass
- 332.19473662
Names & identifiers
- Preferred name
- cis-(6-Ethoxycarbonylmethyl-1-methylpiperazin-2-yl)acetic acid ethyl ester acetate
- IUPAC
- acetic acid;ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperazin-2-yl]acetate
- English name
- Diethyl 2,2'-[(2R,6S)-1-methylpiperazine-2,6-diyl]diacetate acetic acid
- Molecular formula
- C13H24N2O4.C2H4O2
- Molecular weight
- 332.39
Names & synonyms
1149624-33-8cis-(6-ethoxycarbonylmethyl-1-methylpiperazin-2-yl)acetic acid ethyl ester acetateMFCD12827803acetic acid;ethyl 2-[(2R,6S)-6-(2-ethoxy-2-oxoethyl)-1-methylpiperazin-2-yl]acetateDiethyl 2,2'-[(2R,6S)-1-methylpiperazine-2,6-diyl] diacetate acetic aciddiethyl 2,2'-[(2R,6S)-1-methylpiperazine-2,6-diyl]diacetate acetic acidSCHEMBL22028294KS-000025GLAKOS005072856GD-0226cis-(6-Ethoxycarbonylmethyl-1-methylpiperazin- 2-yl)acetic acid ethyl ester acetateDiethyl2,2'-((2R,6S)-1-methylpiperazine-2,6-diyl)diacetateacetate
Show more names
DIETHYL 2,2-((2R,6S)-1-METHYLPIPERAZINE-2,6-DIYL)DIACETATE ACETATE
acetic acid;ethyl 2-[(2S,6R)-6-(2-ethoxy-2-oxo-ethyl)-1-methyl-piperazin-2-yl]acetate
Database identifiers
- CAS
1149624-33-8- PubChem CID
- 44158349
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 88 · 88-90°
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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