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Molecule
Girard'S P Reagent
CAS: 1126-58-5 · C7H10ClN3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1126-58-5
- Molecular Formula
- C7H10ClN3O
- Molecular Mass
- 187.63 g/mol
Identifiers
CAS Registry Number
1126-58-5
SMILES
Cl.NN=C([O-])C[n+]1ccccc1
InChI Key
NDXLVXDHVHWYFR-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N3O.ClH/c8-9-7(11)6-10-4-2-1-3-5-10;/h1-5H,6,8H2;1H
Names and Synonyms
- Girard'S P Reagent Synonym
- Pyridinium, 1-(2-hydrazinyl-2-oxoethyl)-, chloride (1:1) Synonym
- Pyridinium, 1-(carboxymethyl)-, chloride, hydrazide Synonym
- Pyridinium, 1-(2-hydrazino-2-oxoethyl)-, chloride Synonym
- 1-(Carboxymethyl)pyridinium chloride, hydrazide Synonym
- Girard's P reagent Synonym
- Girard-P reagent Synonym
- Pyridinioacetohydrazide chloride Synonym
- Reagents, Girard's P Synonym
- 1-(2-Hydrazino-2-oxoethyl)pyridinium chloride Synonym
- 1-(2-Hydrazinyl-2-oxoethyl)pyridin-1-iumchloride Synonym
- 1-[(Hydrazinecarbonyl)methyl]pyridin-1-ium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.63 g/mol | CAS Common Chemistry |
| 187.63000000000002 g/mol | RDKit | |
| 187.627 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].O=C(NN)C[N+]=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H9N3O.ClH/c8-9-7(11)6-10-4-2-1-3-5-10;/h1-5H,6,8H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=NDXLVXDHVHWYFR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 201-202 °C | CAS Common Chemistry |
| Name | Girard's P reagent | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 65.32 Ų | RDKit |
| 59.61 Ų | chempirical lib | |
| LogP | -0.9715999999999998 | RDKit |
| -0.9716 | RDKit | |
| Molar Refractivity | 45.50740000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 187.05123962 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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20
0 ppm
| 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 = 187.63 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10ClN3O.
