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Triamiphos
CAS: 1031-47-6 | C12H19N6OP
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
1031-47-6
Molecular Formula:
C12H19N6OP
Molecular Mass:
294.30 g/mol
Names and Synonyms:
Triamiphos
Phosphonic diamide, P-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)-N,N,N′,N′-tetramethyl-
P-(5-Amino-3-phenyl-1H-1,2,4-triazol-1-yl)-N,N,N′,N′-tetramethylphosphonic diamide
WP 155
5-Amino-1-bis(dimethylamido)phosphoryl-3-phenyl-1,2,4-triazole
5-Amino-1-[bis(dimethylamino)phosphinyl]-3-phenyl-1,2,4-triazole
5-Amino-3-phenyl-1,2,4-triazol-1-yl-N,N,N′,N′-tetramethylphosphodiamide
Wepsyn
Triamiphos
Wepsyn 155
NSC 232670
Identifiers:
SMILES:
CN(C)P(=O)(N(C)C)n1[nH]c(-c2ccccc2)nc1=N
InChI:
InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15)
Key Properties
Melting Point
167-169 °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 | 294.30 g/mol | CAS Common Chemistry |
| 294.29900000000004 g/mol | RDKit | |
| 294.13579585800005 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triamiphos | CAS Common Chemistry |
| Canonical SMILES | O=P(N1N=C(N=C1N)C=2C=CC=CC2)(N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H19N6OP/c1-16(2)20(19,17(3)4)18-12(13)14-11(15-18)10-8-6-5-7-9-10/h5-9H,1-4H3,(H2,13,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=BABJTMNVJXLAEX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167-169 °C | CAS Common Chemistry |
| Name | Triamiphos | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 81.01 Ų | RDKit |
| LogP | 1.4370699999999996 | RDKit |
| Molar Refractivity | 78.24690000000002 | RDKit |
