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Molecule
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
Identifiers
CAS Registry Number
19353-92-5
SMILES
CN(C)c1ccc(C(=O)NN)cc1
InChI Key
HITIGLAGJBMISF-UHFFFAOYSA-N
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)
Names and Synonyms
- 4-(Dimethylamino)Benzohydrazide Systematic Name
- Benzoic acid, 4-(dimethylamino)-, hydrazide Synonym
- Benzoic acid, p-(dimethylamino)-, hydrazide Synonym
- p-(Dimethylamino)benzoic acid hydrazide Synonym
- 4-(Dimethylamino)benzoylhydrazine Synonym
- 4-Dimethylaminobenzoic acid hydrazide Synonym
- 4-(Dimethylamino)benzenecarbohydrazide Synonym
- 4-(Dimethylamino)benzohydrazide Synonym
- NSC 219987 Synonym
- 4-Dimethylaminobenzhydrazide Synonym
- 4-(Dimethylamino)benzoylhydrazide Synonym
- 4-(Dimethylamino)benzocarbohydrazide Synonym
- p-(Dimethylamino)benzoyl hydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 179.22 g/mol | CAS Common Chemistry |
| 179.22299999999998 g/mol | RDKit | |
| 179.223 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 |
| 58.13 Ų | chempirical lib | |
| LogP | 0.3560999999999998 | RDKit |
| 0.3561 | RDKit | |
| Molar Refractivity | 52.42260000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 179.105862036 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| 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 = 179.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13N3O.
