Back to Search
N,N-Diethyl-1-Piperazinecarboxamide
CAS: 119-54-0 | C9H19N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
119-54-0
Molecular Formula:
C9H19N3O
Molecular Mass:
185.27 g/mol
Names and Synonyms:
N,N-Diethyl-1-Piperazinecarboxamide
1-Piperazinecarboxamide, N,N-diethyl-
N,N-Diethyl-1-piperazinecarboxamide
Subdamine
1-Diethylcarbamoylpiperazine
1-(Diethylcarbamyl)piperazine
N,N-Diethylcarbamoylpiperazine
1-(N,N-Diethylaminocarbonyl)piperazine
Identifiers:
SMILES:
CCN(CC)C(=O)N1CCNCC1
InChI:
InChI=1S/C9H19N3O/c1-3-11(4-2)9(13)12-7-5-10-6-8-12/h10H,3-8H2,1-2H3
Key Properties
Boiling Point
113.5-115.5 °C @ Press: 3 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 | 185.27 g/mol | CAS Common Chemistry |
| 185.27099999999996 g/mol | RDKit | |
| 185.152812228 g/mol | RDKit | |
| Boiling Point | 113.5-115.5 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(N(CC)CC)N1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H19N3O/c1-3-11(4-2)9(13)12-7-5-10-6-8-12/h10H,3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IWJSZNIFIDAYDY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Diethyl-1-piperazinecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.580000000000005 Ų | RDKit |
| LogP | 0.3534000000000002 | RDKit |
| Molar Refractivity | 52.75970000000004 | RDKit |
