Back to Search
2-Aminobenzohydrazide
CAS: 1904-58-1 | C7H9N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1904-58-1
Molecular Formula:
C7H9N3O
Molecular Weight:
151.16899999999995 g/mol
Names and Synonyms:
2-Aminobenzohydrazide
NSC 642
2-Aminobenzohydrazide
1-(2-Aminobenzoyl)hydrazine
o-Aminobenzoylhydrazine
Anthranilic hydrazide
2-Aminobenzoylhydrazine
Anthraniloyl hydrazide
2-Aminobenzoic acid hydrazide
2-Aminobenzhydrazide
o-Aminobenzoic hydrazide
o-Aminobenzoic acid hydrazide
o-Aminobenzhydrazide
Anthranilic acid, hydrazide
2-Aminobenzoic hydrazide
Anthraniloylhydrazine
o-Aminobenzohydrazide
Anthranoylhydrazine
INHd 22
2-Aminobenzoylhydrazide
Benzoic acid, 2-amino-, hydrazide
Identifiers:
SMILES:
NN=C(O)c1ccccc1N
InChI:
InChI=1S/C7H9N3O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | cas-inchi-key | InChIKey=GRWMSCBKWMQPON-UHFFFAOYSA-N | Legacy Database |
| cas-melting-point | 208-209 °C @ Solvent: Ethanol | Legacy Database | |
| cas-name | 2-Aminobenzohydrazide | Legacy Database | |
| molecular_mass | 151.17 g/mol | Legacy Database | |
| cas-canonical-smile | O=C(NN)C=1C=CC=CC1N | Legacy Database | |
| cas-inchi | InChI=1S/C7H9N3O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,8-9H2,(H,10,11) | Legacy Database | |
| LogP | 0.4470999999999999 | RDKit | |
| Molecular | Molecular Weight | 151.16899999999995 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.074561908 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 84.63 Ų | RDKit |
| Molar | Molar Refractivity | 44.207600000000006 | RDKit |
