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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
Names and Synonyms:
4-Aminobenzoic Acid Hydrazide
Benzoic acid, 4-amino-, hydrazide
Benzoic acid, p-amino-, hydrazide
p-Aminobenzoic acid hydrazide
p-Aminobenzhydrazide
Amben hydrazide
p-Aminobenzoic hydrazide
4-Aminobenzhydrazide
4-Aminobenzoic acid hydrazide
4-Aminobenzoylhydrazine
p-Aminobenzoylhydrazine
Aminostimil
4-Aminobenzoyl hydrazide
NSC 640
p-Aminobenzohydrazide
Identifiers:
SMILES:
NNC(=O)c1ccc(N)cc1
InChI:
InChI=1S/C7H9N3O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
Key Properties
Melting Point
225-227 °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 | 151.17 g/mol | CAS Common Chemistry |
| 151.169 g/mol | RDKit | |
| 151.074561908 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 |
| Molar Refractivity | 42.508 | RDKit |
