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1-Ethyl-3-(3-Dimethylaminopropyl)Carbodiimide
CAS: 1892-57-5 | C8H17N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1892-57-5
Molecular Formula:
C8H17N3
Molecular Mass:
155.25 g/mol
Names and Synonyms:
1-Ethyl-3-(3-Dimethylaminopropyl)Carbodiimide
(3-Dimethylamino-propyl)-ethyl-carbodiimide
1,3-Propanediamine, N3-(ethylcarbonimidoyl)-N1,N1-dimethyl-
Carbodiimide, [3-(dimethylamino)propyl]ethyl-
1,3-Propanediamine, N′-(ethylcarbonimidoyl)-N,N-dimethyl-
N3-(Ethylcarbonimidoyl)-N1,N1-dimethyl-1,3-propanediamine
1-Ethyl-3-[3-(dimethylamino)propyl]carbodiimide
1-Ethyl-3-(dimethylaminopropyl)carbodiimide
N-Ethyl-N′-(3-dimethylaminopropyl)carbodiimide
3-(3-Dimethylaminopropyl)-1-ethylcarbodiimide
Dec
1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide
1-[3-(Dimethylamino)propyl]-3-ethylcarbodiimide
EDAC
N-(3-Dimethylaminopropyl)-N′-ethylcarbodiimide
1-Ethyl-3-(N,N-dimethylamino)propylcarbodiimide
EDC
3-Ethyl-1-(3-dimethylaminopropyl)carbodiimide
([[3-(Dimethylamino)propyl]imino]methylidene)(ethyl)amine
Identifiers:
SMILES:
CCN=C=NCCCN(C)C
InChI:
InChI=1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3
Key Properties
Boiling Point
53-54 °C @ Press: 0.6 Torr
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 | 155.25 g/mol | CAS Common Chemistry |
| 155.245 g/mol | RDKit | |
| 155.14224754399999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide | CAS Common Chemistry |
| Boiling Point | 53-54 °C @ Press: 0.6 Torr | 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 |
| LogP | 1.1319000000000001 | RDKit |
| Molar Refractivity | 48.44200000000003 | RDKit |
