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Molecule
Daminozide
CAS: 1596-84-5 · C6H12N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1596-84-5
- Molecular Formula
- C6H12N2O3
- Molecular Mass
- 160.17 g/mol
Identifiers
CAS Registry Number
1596-84-5
SMILES
CN(C)N=C(O)CCC(=O)O
InChI Key
NOQGZXFMHARMLW-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
Names and Synonyms
- Daminozide Synonym
- Butanedioic acid, 1-(2,2-dimethylhydrazide) Synonym
- Succinic acid, mono(2,2-dimethylhydrazide) Synonym
- Butanedioic acid, mono(2,2-dimethylhydrazide) Synonym
- B 995 Synonym
- N-(Dimethylamino)succinamic acid Synonym
- DMASA Synonym
- Alar Synonym
- B-Nine Synonym
- Succinic acid 2,2-dimethylhydrazide Synonym
- Aminozide Synonym
- Alar 85 Synonym
- SADH Synonym
- Kylar Synonym
- Aminozid Synonym
- Daminozide Synonym
- Succinic acid N,N-dimethylhydrazide Synonym
- Succinic N′,N′-dimethylhydrazide Synonym
- Dimas Synonym
- DYaK Synonym
- DIMG Synonym
- Dazide Synonym
- Bijiu Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 160.17 g/mol | CAS Common Chemistry |
| 160.173 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Daminozide | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCC(=O)NN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=NOQGZXFMHARMLW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 154-155 °C | CAS Common Chemistry |
| Name | Daminozide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 73.13 Ų | RDKit |
| 72.9 Ų | chempirical lib | |
| LogP | 0.28429999999999994 | RDKit |
| 0.2843 | RDKit | |
| Molar Refractivity | 40.620599999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 160.084792244 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
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100
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40
20
0 ppm
| 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.
External Resources
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MW = 160.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12N2O3.
