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Molecule
Ethyl N-Phenylcarbamate
CAS: 101-99-5 · C9H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 101-99-5
- Molecular Formula
- C9H11NO2
- Molecular Mass
- 165.19 g/mol
Identifiers
CAS Registry Number
101-99-5
SMILES
CCOC(O)=Nc1ccccc1
InChI Key
LBKPGNUOUPTQKA-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
Names and Synonyms
- Ethyl N-Phenylcarbamate Synonym
- Carbamic acid, N-phenyl-, ethyl ester Synonym
- Carbanilic acid, ethyl ester Synonym
- Carbamic acid, phenyl-, ethyl ester Synonym
- Ethanol, carbanilate Synonym
- EPC Synonym
- Ethyl carbanilate Synonym
- Ethyl phenylcarbamate Synonym
- Euphorin Synonym
- Phenylurethan Synonym
- N-Phenylurethane Synonym
- Phenylurethane Synonym
- Ethyl N-phenylcarbamate Synonym
- Ethyl N-phenylurethan Synonym
- Ethyl N-phenylurethane Synonym
- N-(Ethoxycarbonyl)aniline Synonym
- N-Phenylcarbamic acid ethyl ester Synonym
- O-Ethyl N-phenylcarbamate Synonym
- NSC 3245 Synonym
- N-Phenyl-O-ethyl carbamate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.19 g/mol | CAS Common Chemistry |
| 165.192 g/mol | RDKit | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.1064 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 238 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)NC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=LBKPGNUOUPTQKA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 52-53 °C | CAS Common Chemistry |
| Name | Ethyl N-phenylcarbamate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.82 Ų | RDKit |
| LogP | 2.2686 | RDKit |
| Molar Refractivity | 47.79180000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 165.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| 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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Quick conversion
MW = 165.19 g/mol; density = 1.110 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11NO2.
