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Molecule
N,N-Di-2-Propen-1-Ylcyanamide
CAS: 538-08-9 · C7H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 538-08-9
- Molecular Formula
- C7H10N2
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
538-08-9
SMILES
C=CCN(C#N)CC=C
InChI Key
ZOSAYFDMPYAZTB-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c1-3-5-9(7-8)6-4-2/h3-4H,1-2,5-6H2
Names and Synonyms
- N,N-Di-2-Propen-1-Ylcyanamide Synonym
- Cyanamide, N,N-di-2-propen-1-yl- Synonym
- Cyanamide, diallyl- Synonym
- Cyanamide, di-2-propenyl- Synonym
- N,N-Di-2-propen-1-ylcyanamide Synonym
- Diallylcyanamide Synonym
- N,N-Diallylcyanamide Synonym
- NSC 3513 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.17099999999999 g/mol | RDKit | |
| 122.171 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9021 g/cm3 | 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 |
| 1.1415 | RDKit | |
| Molar Refractivity | 37.580000000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 122.08439831999999 g/mol | RDKit |
| Boiling Point | 140-145 °C @ 90 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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20
0 ppm
| 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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MW = 122.17 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2.
