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Molecule
Sarcosine Anhydride
CAS: 5076-82-4 · C6H10N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5076-82-4
- Molecular Formula
- C6H10N2O2
- Molecular Mass
- 142.16 g/mol
Identifiers
CAS Registry Number
5076-82-4
SMILES
CN1CC(=O)N(C)CC1=O
InChI Key
PKDGRAULLDDTRN-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2O2/c1-7-3-6(10)8(2)4-5(7)9/h3-4H2,1-2H3
Names and Synonyms
- Sarcosine Anhydride Synonym
- 2,5-Piperazinedione, 1,4-dimethyl- Synonym
- Cyclo(sarcosylsarcosyl) Synonym
- 1,4-Dimethyl-2,5-piperazinedione Synonym
- Sarcosine anhydride Synonym
- Sarcosine anhydride, bimol. cyclic Synonym
- N,N′-Dimethyldiketopiperazine Synonym
- Sarcosine diketopiperazine Synonym
- 1,4-Dimethyl-2,5-dioxopiperazine Synonym
- 1,4-Dimethylpiperazine-2,5-dione Synonym
- NSC 67461 Synonym
- Cyclo(Sar-Sar) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.16 g/mol | CAS Common Chemistry |
| 142.158 g/mol | RDKit | |
| Boiling Point | 304-306 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1N(C)CC(=O)N(C)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H10N2O2/c1-7-3-6(10)8(2)4-5(7)9/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PKDGRAULLDDTRN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 149-150 °C | CAS Common Chemistry |
| Name | Sarcosine anhydride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.620000000000005 Ų | RDKit |
| 40.62 Ų | RDKit | |
| 40.16 Ų | chempirical lib | |
| LogP | -1.0831999999999997 | RDKit |
| -1.0832 | RDKit | |
| Molar Refractivity | 35.274 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 142.07422756 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 142.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10N2O2.
