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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
Names and Synonyms:
Piperazine Adipate
Hexanedioic acid, compd. with piperazine (1:1)
Adipic acid, compd. with piperazine (1:1)
Piperazine, adipate (1:1)
Piperazine, hexanedioate (1:1)
Adiprazine
Arduvermin
Dietelmin
Entacyl
Helmirazin
Oxurasin
Oxyzin
Piperascat
Piperaskat
Piperazine adipate
Vermicompren
Piperazine adipinate
Nometan
Vermilass
Oxypaat
Pipadox
Adiprazina
Piperazinium adipate
NSC 74383
Identifiers:
SMILES:
C1CNCCN1.O=C(O)CCCCC(=O)O
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
Key Properties
Melting Point
256-257 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.28 g/mol | CAS Common Chemistry |
| 232.27999999999994 g/mol | RDKit | |
| 232.14230712 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 |
| LogP | -0.1047999999999994 | RDKit |
| Molar Refractivity | 59.47900000000003 | RDKit |
