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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
Names and Synonyms:
Daminozide
Butanedioic acid, 1-(2,2-dimethylhydrazide)
Succinic acid, mono(2,2-dimethylhydrazide)
Butanedioic acid, mono(2,2-dimethylhydrazide)
B 995
N-(Dimethylamino)succinamic acid
DMASA
Alar
B-Nine
Succinic acid 2,2-dimethylhydrazide
Aminozide
Alar 85
SADH
Kylar
Aminozid
Daminozide
Succinic acid N,N-dimethylhydrazide
Succinic N′,N′-dimethylhydrazide
Dimas
DYaK
DIMG
Dazide
Bijiu
Identifiers:
SMILES:
CN(C)N=C(O)CCC(=O)O
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)
Key Properties
Melting Point
154-155 °C
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 | 160.17 g/mol | CAS Common Chemistry |
| 160.173 g/mol | RDKit | |
| 160.084792244 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 |
| LogP | 0.28429999999999994 | RDKit |
| Molar Refractivity | 40.620599999999996 | RDKit |
