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N-(3-Methylphenyl)Urea
CAS: 63-99-0 | C8H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
63-99-0
Molecular Formula:
C8H10N2O
Molecular Weight:
150.181 g/mol
Names and Synonyms:
N-(3-Methylphenyl)Urea
NSC 2177
N-m-Tolylurea
m-Methylphenylurea
3-Tolylurea
3-Methylphenylurea
m-Tolylurea
m-Tolylcarbamide
N-(3-Methylphenyl)urea
Urea, (3-methylphenyl)-
Urea, m-tolyl-
Urea, N-(3-methylphenyl)-
Identifiers:
SMILES:
Cc1cccc(NC(=N)O)c1
InChI:
InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 150.181 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.07931294 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 56.11 Ų | RDKit |
| Physical Properties | LogP | 1.8996899999999999 | RDKit |
| molecular_mass | 150.18 g/mol | Legacy Database | |
| cas-canonical-smile | O=C(N)NC1=CC=CC(=C1)C | Legacy Database | |
| cas-inchi | InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11) | Legacy Database | |
| cas-inchi-key | InChIKey=UVQVMNIYFXZXCI-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 143 °C | Legacy Database | |
| cas-name | N-(3-Methylphenyl)urea | Legacy Database | |
| Molar | Molar Refractivity | 45.15720000000001 | RDKit |
