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Molecule
2-Aminobenzohydrazide
CAS: 1904-58-1 · C7H9N3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1904-58-1
- Molecular Formula
- C7H9N3O
- Molecular Mass
- 151.17 g/mol
Identifiers
CAS Registry Number
1904-58-1
SMILES
NN=C(O)c1ccccc1N
InChI Key
GRWMSCBKWMQPON-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N3O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
Names and Synonyms
- 2-Aminobenzohydrazide Systematic Name
- Benzoic acid, 2-amino-, hydrazide Synonym
- 2-Aminobenzoylhydrazide Synonym
- INHd 22 Synonym
- Anthranoylhydrazine Synonym
- o-Aminobenzohydrazide Synonym
- Anthraniloylhydrazine Synonym
- 2-Aminobenzoic hydrazide Synonym
- Anthranilic acid, hydrazide Synonym
- o-Aminobenzhydrazide Synonym
- o-Aminobenzoic acid hydrazide Synonym
- o-Aminobenzoic hydrazide Synonym
- 2-Aminobenzhydrazide Synonym
- 2-Aminobenzoic acid hydrazide Synonym
- Anthraniloyl hydrazide Synonym
- 2-Aminobenzoylhydrazine Synonym
- Anthranilic hydrazide Synonym
- o-Aminobenzoylhydrazine Synonym
- 1-(2-Aminobenzoyl)hydrazine Synonym
- 2-Aminobenzohydrazide Synonym
- NSC 642 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.17 g/mol | CAS Common Chemistry |
| 151.16899999999995 g/mol | RDKit | |
| 151.169 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C=1C=CC=CC1N | CAS Common Chemistry |
| InChI | InChI=1S/C7H9N3O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,8-9H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=GRWMSCBKWMQPON-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 208-209 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 2-Aminobenzohydrazide | 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 | 84.63 Ų | RDKit |
| LogP | 0.4470999999999999 | RDKit |
| 0.4471 | RDKit | |
| Molar Refractivity | 44.207600000000006 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...
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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.
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MW = 151.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9N3O.
