Back to Search
Molecule
Girard-T Reagent
CAS: 123-46-6 · C5H14ClN3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 123-46-6
- Molecular Formula
- C5H14ClN3O
- Molecular Mass
- 167.64 g/mol
Identifiers
CAS Registry Number
123-46-6
SMILES
C[N+](C)(C)CC([O-])=NN.Cl
InChI Key
YSULOORXQBDPCU-UHFFFAOYSA-N
InChI
InChI=1S/C5H13N3O.ClH/c1-8(2,3)4-5(9)7-6;/h4,6H2,1-3H3;1H
Names and Synonyms
- Girard-T Reagent Common Name
- Ethanaminium, 2-hydrazinyl-N,N,N-trimethyl-2-oxo-, chloride (1:1) Synonym
- (Carboxymethyl)trimethylammonium chloride hydrazide Synonym
- Ammonium, (carboxymethyl)trimethyl-, chloride, hydrazide Synonym
- Ethanaminium, 2-hydrazino-N,N,N-trimethyl-2-oxo-, chloride Synonym
- Ammonium compounds, substituted, (carboxymethyl)trimethyl-, chloride, hydrazide Synonym
- Betaine hydrazide hydrochloride Synonym
- Trimethylacetylhydrazide ammonium chloride Synonym
- Trimethylaminoacetohydrazide chloride Synonym
- Trimethylammonium acetyl hydrazide chloride Synonym
- Trimethylammonium chloride acetylhydrazide Synonym
- (Carbazoylmethyl)trimethylammonium chloride Synonym
- Girard's T reagent Synonym
- Betaine hydrazide chloride Synonym
- Trimethylammonioacetohydrazide chloride Synonym
- Reagents, Girard's T Synonym
- Girard-T reagent Synonym
- (2-Hydrazino-2-oxoethyl)trimethylammonium chloride Synonym
- [(Hydrazinecarbonyl)methyl]trimethylazanium chloride Synonym
- (Hydrazinocarbonylmethyl)trimethylammonium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.64 g/mol | CAS Common Chemistry |
| 167.637 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].O=C(NN)C[N+](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H13N3O.ClH/c1-8(2,3)4-5(9)7-6;/h4,6H2,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=YSULOORXQBDPCU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 192 °C | CAS Common Chemistry |
| Name | Girard-T reagent | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 61.44 Ų | RDKit |
| 59.61 Ų | chempirical lib | |
| LogP | -1.2530999999999988 | RDKit |
| -1.2531 | RDKit | |
| Molar Refractivity | 41.76980000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 167.082539748 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 167.64 g/mol. Edit any field — others recompute live.
