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Sarcosine Anhydride
CAS: 5076-82-4 | C6H10N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5076-82-4
Molecular Formula:
C6H10N2O2
Molecular Weight:
142.158 g/mol
Names and Synonyms:
Sarcosine Anhydride
2,5-Piperazinedione, 1,4-dimethyl-
Cyclo(sarcosylsarcosyl)
1,4-Dimethyl-2,5-piperazinedione
Sarcosine anhydride
Sarcosine anhydride, bimol. cyclic
N,N′-Dimethyldiketopiperazine
Sarcosine diketopiperazine
1,4-Dimethyl-2,5-dioxopiperazine
1,4-Dimethylpiperazine-2,5-dione
NSC 67461
Cyclo(Sar-Sar)
Identifiers:
SMILES:
CN1CC(=O)N(C)CC1=O
InChI:
InChI=1S/C6H10N2O2/c1-7-3-6(10)8(2)4-5(7)9/h3-4H2,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 142.16 g/mol | Legacy Database |
| cas-boiling-point | 304-306 °C None | Legacy Database |
| cas-canonical-smile | O=C1N(C)CC(=O)N(C)C1 None | Legacy Database |
| cas-inchi | InChI=1S/C6H10N2O2/c1-7-3-6(10)8(2)4-5(7)9/h3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=PKDGRAULLDDTRN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 149-150 °C None | Legacy Database |
| cas-name | Sarcosine anhydride None | Legacy Database |
| LogP | -1.0831999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.158 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.07422756 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.620000000000005 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.274 | RDKit |
