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Molecule
Fenuron
CAS: 101-42-8 · C9H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 101-42-8
- Molecular Formula
- C9H12N2O
- Molecular Mass
- 164.21 g/mol
Identifiers
CAS Registry Number
101-42-8
SMILES
CN(C)C(O)=Nc1ccccc1
InChI Key
XXOYNJXVWVNOOJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)
Names and Synonyms
- Fenuron Synonym
- Urea, N,N-dimethyl-N′-phenyl- Synonym
- Urea, 1,1-dimethyl-3-phenyl- Synonym
- N,N-Dimethyl-N′-phenylurea Synonym
- Dybar Synonym
- Fenuron Synonym
- 1,1-Dimethyl-3-phenylurea Synonym
- 3-Phenyl-1,1-dimethylurea Synonym
- PUD Synonym
- Dibar Synonym
- 1-Phenyl-3,3-dimethylurea Synonym
- N-Phenyl-N′,N′-dimethylurea Synonym
- Falisilvan Synonym
- Omicure 94 Synonym
- Fikure 62U Synonym
- Dyhard UR 300 Synonym
- Amicure UR Synonym
- Dyhard RU 300 Synonym
- Omicure U 405 Synonym
- Dyhard 300 Synonym
- UR 300 Synonym
- U 405 Synonym
- PDU 250 Synonym
- 3,3-Dimethyl-1-phenylurea Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.21 g/mol | CAS Common Chemistry |
| 164.208 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.08 g/cm3 @ 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 |
| 35.6 Ų | chempirical lib | |
| LogP | 1.7937 | RDKit |
| Molar Refractivity | 49.85280000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 164.094963004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 164.21 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12N2O.
