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4-(Dimethylamino)Benzohydrazide
CAS: 19353-92-5 | C9H13N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19353-92-5
Molecular Formula:
C9H13N3O
Molecular Mass:
179.22 g/mol
Names and Synonyms:
4-(Dimethylamino)Benzohydrazide
Benzoic acid, 4-(dimethylamino)-, hydrazide
Benzoic acid, p-(dimethylamino)-, hydrazide
p-(Dimethylamino)benzoic acid hydrazide
4-(Dimethylamino)benzoylhydrazine
4-Dimethylaminobenzoic acid hydrazide
4-(Dimethylamino)benzenecarbohydrazide
4-(Dimethylamino)benzohydrazide
NSC 219987
4-Dimethylaminobenzhydrazide
4-(Dimethylamino)benzoylhydrazide
4-(Dimethylamino)benzocarbohydrazide
p-(Dimethylamino)benzoyl hydrazide
Identifiers:
SMILES:
CN(C)c1ccc(C(=O)NN)cc1
InChI:
InChI=1S/C9H13N3O/c1-12(2)8-5-3-7(4-6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)
Key Properties
Melting Point
170-171 °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 | 179.22 g/mol | CAS Common Chemistry |
| 179.22299999999998 g/mol | RDKit | |
| 179.105862036 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C1=CC=C(C=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13N3O/c1-12(2)8-5-3-7(4-6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13) | CAS Common Chemistry |
| InChI Key | InChIKey=HITIGLAGJBMISF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170-171 °C | CAS Common Chemistry |
| Name | 4-(Dimethylamino)benzohydrazide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.36 Ų | RDKit |
| LogP | 0.3560999999999998 | RDKit |
| Molar Refractivity | 52.42260000000002 | RDKit |
