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Molecule
Pirimicarb
CAS: 23103-98-2 · C11H18N4O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 23103-98-2
- Molecular Formula
- C11H18N4O2
- Molecular Mass
- 238.29 g/mol
Identifiers
CAS Registry Number
23103-98-2
SMILES
Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C
InChI Key
YFGYUFNIOHWBOB-UHFFFAOYSA-N
InChI
InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
Names and Synonyms
- Pirimicarb Common Name
- Carbamic acid, N,N-dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester Synonym
- Carbamic acid, dimethyl-, 2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl ester Synonym
- 4-Pyrimidinol, 2-(dimethylamino)-5,6-dimethyl-, dimethylcarbamate (ester) Synonym
- Pirimicarb Synonym
- PP 062 Synonym
- 5,6-Dimethyl-2-dimethylamino-4-dimethylcarbamoyloxypyrimidine Synonym
- Pirimor Synonym
- 2-Dimethylamino-5,6-dimethyl-4-pyrimidinyl dimethylcarbamate Synonym
- 2-Dimethylamino-5,6-dimethylpyrimidin-4-yl N,N-dimethylcarbamate Synonym
- Fernos Synonym
- Pyrimor Synonym
- Pirimor G Synonym
- Pirimor Granulate Synonym
- Aphox Synonym
- Pirimix Synonym
- Aphox DG Synonym
- Aficida Synonym
- Patton Flow Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 238.29 g/mol | CAS Common Chemistry |
| 238.29099999999997 g/mol | RDKit | |
| 238.291 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.21 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pirimicarb | CAS Common Chemistry |
| Canonical SMILES | O=C(OC=1N=C(N=C(C1C)C)N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YFGYUFNIOHWBOB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90.5 °C | CAS Common Chemistry |
| Name | Pirimicarb | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.56 Ų | RDKit |
| 57.04 Ų | chempirical lib | |
| LogP | 1.2198399999999998 | RDKit |
| 1.2198 | RDKit | |
| Molar Refractivity | 65.54400000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5455 | RDKit |
| 0.55 | chempirical lib | |
| Exact Mass | 238.142975816 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 238.29 g/mol; density = 1.210 g/mL. Edit any field — others recompute live.
