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Molecule
Piperazine Adipate
CAS: 142-88-1 · C10H20N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 142-88-1
- Molecular Formula
- C10H20N2O4
- Molecular Mass
- 232.28 g/mol
Identifiers
CAS Registry Number
142-88-1
SMILES
C1CNCCN1.O=C(O)CCCCC(=O)O
InChI Key
BVEGEKOBSPXUJS-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4.C4H10N2/c7-5(8)3-1-2-4-6(9)10;1-2-6-4-3-5-1/h1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2
Names and Synonyms
- Piperazine Adipate Common Name
- Hexanedioic acid, compd. with piperazine (1:1) Synonym
- Adipic acid, compd. with piperazine (1:1) Synonym
- Piperazine, adipate (1:1) Synonym
- Piperazine, hexanedioate (1:1) Synonym
- Adiprazine Synonym
- Arduvermin Synonym
- Dietelmin Synonym
- Entacyl Synonym
- Helmirazin Synonym
- Oxurasin Synonym
- Oxyzin Synonym
- Piperascat Synonym
- Piperaskat Synonym
- Piperazine adipate Synonym
- Vermicompren Synonym
- Piperazine adipinate Synonym
- Nometan Synonym
- Vermilass Synonym
- Oxypaat Synonym
- Pipadox Synonym
- Adiprazina Synonym
- Piperazinium adipate Synonym
- NSC 74383 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.28 g/mol | CAS Common Chemistry |
| 232.27999999999994 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCCCC(=O)O.N1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O4.C4H10N2/c7-5(8)3-1-2-4-6(9)10;1-2-6-4-3-5-1/h1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BVEGEKOBSPXUJS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 256-257 °C | CAS Common Chemistry |
| Name | Piperazine adipate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 98.66000000000001 Ų | RDKit |
| 98.66 Ų | RDKit | |
| LogP | -0.1047999999999994 | RDKit |
| -0.1048 | RDKit | |
| Molar Refractivity | 59.47900000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 232.14230712 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 232.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H20N2O4.
