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Molecule
1-Ethyl-3-(3-Dimethylaminopropyl)Carbodiimide
CAS: 1892-57-5 · C8H17N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1892-57-5
- Molecular Formula
- C8H17N3
- Molecular Mass
- 155.25 g/mol
Identifiers
CAS Registry Number
1892-57-5
SMILES
CCN=C=NCCCN(C)C
InChI Key
LMDZBCPBFSXMTL-UHFFFAOYSA-N
InChI
InChI=1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3
Names and Synonyms
- 1-Ethyl-3-(3-Dimethylaminopropyl)Carbodiimide Systematic Name
- (3-Dimethylamino-propyl)-ethyl-carbodiimide Synonym
- 1,3-Propanediamine, N3-(ethylcarbonimidoyl)-N1,N1-dimethyl- Synonym
- Carbodiimide, [3-(dimethylamino)propyl]ethyl- Synonym
- 1,3-Propanediamine, N′-(ethylcarbonimidoyl)-N,N-dimethyl- Synonym
- N3-(Ethylcarbonimidoyl)-N1,N1-dimethyl-1,3-propanediamine Synonym
- 1-Ethyl-3-[3-(dimethylamino)propyl]carbodiimide Synonym
- 1-Ethyl-3-(dimethylaminopropyl)carbodiimide Synonym
- N-Ethyl-N′-(3-dimethylaminopropyl)carbodiimide Synonym
- 3-(3-Dimethylaminopropyl)-1-ethylcarbodiimide Synonym
- Dec Synonym
- 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide Synonym
- 1-[3-(Dimethylamino)propyl]-3-ethylcarbodiimide Synonym
- EDAC Synonym
- N-(3-Dimethylaminopropyl)-N′-ethylcarbodiimide Synonym
- 1-Ethyl-3-(N,N-dimethylamino)propylcarbodiimide Synonym
- EDC Synonym
- 3-Ethyl-1-(3-dimethylaminopropyl)carbodiimide Synonym
- ([[3-(Dimethylamino)propyl]imino]methylidene)(ethyl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 155.25 g/mol | CAS Common Chemistry |
| 155.245 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide | CAS Common Chemistry |
| Canonical SMILES | C(=NCC)=NCCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LMDZBCPBFSXMTL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide | CAS Common Chemistry |
| 1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide | CAS Common Chemistry | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.96 Ų | RDKit |
| 27.73 Ų | chempirical lib | |
| LogP | 1.1319000000000001 | RDKit |
| 1.1319 | RDKit | |
| Molar Refractivity | 48.44200000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 155.14224754399999 g/mol | RDKit |
| Boiling Point | 53-54 °C @ 0.6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| 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.
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MW = 155.25 g/mol. Edit any field — others recompute live.
