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Fenuron
CAS: 101-42-8 | C9H12N2O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
101-42-8
Molecular Formula:
C9H12N2O
Molecular Mass:
164.21 g/mol
Names and Synonyms:
Fenuron
Urea, N,N-dimethyl-N′-phenyl-
Urea, 1,1-dimethyl-3-phenyl-
N,N-Dimethyl-N′-phenylurea
Dybar
Fenuron
1,1-Dimethyl-3-phenylurea
3-Phenyl-1,1-dimethylurea
PUD
Dibar
1-Phenyl-3,3-dimethylurea
N-Phenyl-N′,N′-dimethylurea
Falisilvan
Omicure 94
Fikure 62U
Dyhard UR 300
Amicure UR
Dyhard RU 300
Omicure U 405
Dyhard 300
UR 300
U 405
PDU 250
3,3-Dimethyl-1-phenylurea
Identifiers:
SMILES:
CN(C)C(O)=Nc1ccccc1
InChI:
InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)
Key Properties
Melting Point
133-134 °C
CAS Common Chemistry
Density
1.08 g/cm³
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 | 164.21 g/mol | CAS Common Chemistry |
| 164.208 g/mol | RDKit | |
| 164.094963004 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.08 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(NC=1C=CC=CC1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=XXOYNJXVWVNOOJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133-134 °C | CAS Common Chemistry |
| Name | Fenuron | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.83 Ų | RDKit |
| LogP | 1.7937 | RDKit |
| Molar Refractivity | 49.85280000000003 | RDKit |
