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N,N′-Di-2-Propen-1-Ylurea
CAS: 1801-72-5 | C7H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1801-72-5
Molecular Formula:
C7H12N2O
Molecular Mass:
140.19 g/mol
Names and Synonyms:
N,N′-Di-2-Propen-1-Ylurea
Urea, N,N′-di-2-propen-1-yl-
Urea, 1,3-diallyl-
Urea, N,N′-di-2-propenyl-
N,N′-Di-2-propen-1-ylurea
1,3-Diallylurea
N,N′-Diallylurea
N,N′-Di-2-propenylurea
N,N′-Bis(2-propenyl)urea
NSC 102722
Diallyl urea
1,3-Bis(prop-2-enyl)urea
1,3-Bis(prop-2-en-1-yl)urea
Identifiers:
SMILES:
C=CCN=C(O)NCC=C
InChI:
InChI=1S/C7H12N2O/c1-3-5-8-7(10)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9,10)
Key Properties
Melting Point
90-93 °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 | 140.19 g/mol | CAS Common Chemistry |
| 140.18599999999998 g/mol | RDKit | |
| 140.094963004 g/mol | RDKit | |
| Canonical SMILES | O=C(NCC=C)NCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C7H12N2O/c1-3-5-8-7(10)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=QRWVOJLTHSRPOA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90-93 °C | CAS Common Chemistry |
| Name | N,N′-Di-2-propen-1-ylurea | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.620000000000005 Ų | RDKit |
| LogP | 0.8620000000000001 | RDKit |
| Molar Refractivity | 43.32750000000001 | RDKit |
