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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 Mass:
150.18 g/mol
Names and Synonyms:
N-(3-Methylphenyl)Urea
Urea, N-(3-methylphenyl)-
Urea, m-tolyl-
Urea, (3-methylphenyl)-
N-(3-Methylphenyl)urea
m-Tolylcarbamide
m-Tolylurea
3-Methylphenylurea
3-Tolylurea
m-Methylphenylurea
N-m-Tolylurea
NSC 2177
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)
Key Properties
Melting Point
143 °C
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 | 150.18 g/mol | CAS Common Chemistry |
| 150.181 g/mol | RDKit | |
| 150.07931294 g/mol | RDKit | |
| Canonical SMILES | O=C(N)NC1=CC=CC(=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=UVQVMNIYFXZXCI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 143 °C | CAS Common Chemistry |
| Name | N-(3-Methylphenyl)urea | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 56.11 Ų | RDKit |
| LogP | 1.8996899999999999 | RDKit |
| Molar Refractivity | 45.15720000000001 | RDKit |
