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N,N-Di-2-Propen-1-Ylcyanamide
CAS: 538-08-9 | C7H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
538-08-9
Molecular Formula:
C7H10N2
Molecular Mass:
122.17 g/mol
Names and Synonyms:
N,N-Di-2-Propen-1-Ylcyanamide
Cyanamide, N,N-di-2-propen-1-yl-
Cyanamide, diallyl-
Cyanamide, di-2-propenyl-
N,N-Di-2-propen-1-ylcyanamide
Diallylcyanamide
N,N-Diallylcyanamide
NSC 3513
Identifiers:
SMILES:
C=CCN(C#N)CC=C
InChI:
InChI=1S/C7H10N2/c1-3-5-9(7-8)6-4-2/h3-4H,1-2,5-6H2
Key Properties
Boiling Point
140-145 °C @ Press: 90 Torr
CAS Common Chemistry
Melting Point
<-70 °C
CAS Common Chemistry
Density
0.90 g/cm³
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 | 122.17 g/mol | CAS Common Chemistry |
| 122.17099999999999 g/mol | RDKit | |
| 122.08439831999999 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9021 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 140-145 °C @ Press: 90 Torr | CAS Common Chemistry |
| Canonical SMILES | N#CN(CC=C)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2/c1-3-5-9(7-8)6-4-2/h3-4H,1-2,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZOSAYFDMPYAZTB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-70 °C | CAS Common Chemistry |
| Name | N,N-Di-2-propen-1-ylcyanamide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.03 Ų | RDKit |
| LogP | 1.14148 | RDKit |
| Molar Refractivity | 37.580000000000005 | RDKit |
