1,4-Piperazinediacetic acid
Basic information
- CAS
5430-78-4- Standard SMILES
O=C(O)CN1CCN(CC(=O)O)CC1- InChIKey
JERMFLFKXHHROS-UHFFFAOYSA-N- Molecular formula
- C8H14N2O4
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.09535693
Names & identifiers
- Preferred name
- 1,4-Piperazinediacetic acid
- IUPAC
- 2-[4-(carboxymethyl)piperazin-1-yl]acetic acid
- English name
- piperazine-1,4-diacetic acid
- Molecular formula
- C8H14N2O4
- Molecular weight
- 202.20776
Names & synonyms
5430-78-41,4-Piperazinediacetic acid2-[4-(carboxymethyl)piperazin-1-yl]acetic acidPiperazine-1,4-diacetic acid2,2'-(piperazine-1,4-diyl)diacetic acid1,4-Bis(Methylcarboxy)piperazineMV6KMM2X5J2,2'-piperazine-1,4-diyldiacetic acidNSC13414NSC-1341492383-58-92-[4-(carboxymethyl)piperazinyl]acetic acid
Show more names
RMA02438Levodropropizine Impurity 37
1,4-PiperazinediaceticacidEINECS 226-587-5NSC 13414UNII-MV6KMM2X5JSCHEMBL321989DTXSID00202668JERMFLFKXHHROS-UHFFFAOYSA-NBBL003568
Database identifiers
- CAS
5430-78-4- PubChem CID
- 72640
- DTXSID
DTXSID00202668- UNII
- MV6KMM2X5J
- EC Number
- 226-587-5
- Nikkaji
- J218.016B
Properties
Computed structural properties
- XLogP
- -5.3
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 250 · 250-252 °C
- Boiling point
- 418.6 · 418.6±40.0 °C(Predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- pka
- 2.4 · 2.40±0.10(Predicted)
- FDA UNII
- 6 KMM2X5J · MV6KMM2X5J
Chemistry & industry
Applications
Uses1,4-Bis(Methylcarboxy)piperazine (CAS# 5430-78-4) can be used as a flower preservative. In addition, this compound is a kind of nitrate depending flora enrichment culture medium that depends on ferrous oxidation.
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Related reactions
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Compound notes
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