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M-Aminobenzhydrazide
CAS: 14062-34-1 | C7H9N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14062-34-1
Molecular Formula:
C7H9N3O
Molecular Weight:
151.16899999999995 g/mol
Names and Synonyms:
M-Aminobenzhydrazide
Benzoic acid, 3-amino-, hydrazide
Benzoic acid, m-amino-, hydrazide
m-Aminobenzhydrazide
m-Aminobenzoic hydrazide
m-Aminobenzoic acid hydrazide
3-Aminobenzoic acid hydrazide
3-Aminobenzohydrazide
3-Aminobenzhydrazide
NSC 28878
3-Aminobenzoylhydrazide
INHd 23
m-Aminobenzohydrazide
Identifiers:
SMILES:
NN=C(O)c1cccc(N)c1
InChI:
InChI=1S/C7H9N3O/c8-6-3-1-2-5(4-6)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 | molecular_mass | 151.17 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NN)C=1C=CC=C(N)C1 | Legacy Database | |
| cas-inchi | InChI=1S/C7H9N3O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11) | Legacy Database | |
| cas-inchi-key | InChIKey=JSIVTKBYJLGBPY-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 78 °C | Legacy Database | |
| cas-name | m-Aminobenzhydrazide | 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 |
