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Piperazine Phosphate
CAS: 14538-56-8 | C4H13N2O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14538-56-8
Molecular Formula:
C4H13N2O4P
Molecular Mass:
184.13 g/mol
Names and Synonyms:
Piperazine Phosphate
Piperazine, phosphate (1:1)
Piperazine monophosphate
Pincets
Pinrou
Anthalazine phosphate
Piperazate
Piperazine phosphate
Pinsirup
Parazine
Antipar
Identifiers:
SMILES:
C1CNCCN1.O=P(O)(O)O
InChI:
InChI=1S/C4H10N2.H3O4P/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H3,1,2,3,4)
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 | 184.13 g/mol | CAS Common Chemistry |
| 184.132 g/mol | RDKit | |
| 184.061293526 g/mol | RDKit | |
| Canonical SMILES | O=P(O)(O)O.N1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H10N2.H3O4P/c1-2-6-4-3-5-1;1-5(2,3)4/h5-6H,1-4H2;(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=NQQWFVUVBGSGQN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Piperazine phosphate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 101.82000000000001 Ų | RDKit |
| LogP | -1.7493999999999996 | RDKit |
| Molar Refractivity | 40.002300000000005 | RDKit |
