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Molecule
4-Aminobenzoic Acid Hydrazide
CAS: 5351-17-7 · C7H9N3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5351-17-7
- Molecular Formula
- C7H9N3O
- Molecular Mass
- 151.17 g/mol
Identifiers
CAS Registry Number
5351-17-7
SMILES
NNC(=O)c1ccc(N)cc1
InChI Key
WPBZMCGPFHZRHJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N3O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
Names and Synonyms
- 4-Aminobenzoic Acid Hydrazide Synonym
- Benzoic acid, 4-amino-, hydrazide Synonym
- Benzoic acid, p-amino-, hydrazide Synonym
- p-Aminobenzoic acid hydrazide Synonym
- p-Aminobenzhydrazide Synonym
- Amben hydrazide Synonym
- p-Aminobenzoic hydrazide Synonym
- 4-Aminobenzhydrazide Synonym
- 4-Aminobenzoic acid hydrazide Synonym
- 4-Aminobenzoylhydrazine Synonym
- p-Aminobenzoylhydrazine Synonym
- Aminostimil Synonym
- 4-Aminobenzoyl hydrazide Synonym
- NSC 640 Synonym
- p-Aminobenzohydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.17 g/mol | CAS Common Chemistry |
| 151.169 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C1=CC=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H9N3O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=WPBZMCGPFHZRHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 225-227 °C | CAS Common Chemistry |
| Name | 4-Aminobenzoic acid hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 81.14 Ų | RDKit |
| LogP | -0.1277000000000003 | RDKit |
| -0.1277 | RDKit | |
| Molar Refractivity | 42.508 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 151.074561908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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 = 151.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9N3O.
