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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
Names and Synonyms:
Girard-T Reagent
Ethanaminium, 2-hydrazinyl-N,N,N-trimethyl-2-oxo-, chloride (1:1)
(Carboxymethyl)trimethylammonium chloride hydrazide
Ammonium, (carboxymethyl)trimethyl-, chloride, hydrazide
Ethanaminium, 2-hydrazino-N,N,N-trimethyl-2-oxo-, chloride
Ammonium compounds, substituted, (carboxymethyl)trimethyl-, chloride, hydrazide
Betaine hydrazide hydrochloride
Trimethylacetylhydrazide ammonium chloride
Trimethylaminoacetohydrazide chloride
Trimethylammonium acetyl hydrazide chloride
Trimethylammonium chloride acetylhydrazide
(Carbazoylmethyl)trimethylammonium chloride
Girard's T reagent
Betaine hydrazide chloride
Trimethylammonioacetohydrazide chloride
Reagents, Girard's T
Girard-T reagent
(2-Hydrazino-2-oxoethyl)trimethylammonium chloride
[(Hydrazinecarbonyl)methyl]trimethylazanium chloride
(Hydrazinocarbonylmethyl)trimethylammonium chloride
Identifiers:
SMILES:
C[N+](C)(C)CC([O-])=NN.Cl
InChI:
InChI=1S/C5H13N3O.ClH/c1-8(2,3)4-5(9)7-6;/h4,6H2,1-3H3;1H
Key Properties
Melting Point
192 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.64 g/mol | CAS Common Chemistry |
| 167.082539748 g/mol | RDKit | |
| 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 |
| LogP | -1.2530999999999988 | RDKit |
| Molar Refractivity | 41.76980000000001 | RDKit |
