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Acetic Acid, 2-Hydrazinyl-, Ethyl Ester, Hydrochloride (1:1)
CAS: 6945-92-2 | C4H11ClN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6945-92-2
Molecular Formula:
C4H11ClN2O2
Molecular Weight:
154.597 g/mol
Names and Synonyms:
Acetic Acid, 2-Hydrazinyl-, Ethyl Ester, Hydrochloride (1:1)
Ethyl 2-hydrazinoacetate hydrochloride
Ethyl hydrazinoacetate monohydrochloride
Ethyl 2-(hydrazinyl)acetate hydrochloride
2-Hydrazinylacetic acid ethyl ester hydrochloride
Hydrazinoacetic acid ethyl ester hydrochloride
Ethyl hydrazineacetate hydrochloride
Ethyl hydrazinoacetate hydrochloride
(Carbethoxymethyl)hydrazine hydrochloride
Hydrazineacetic acid ethyl ester hydrochloride
Ethyl hydrazineacetate monohydrochloride
Acetic acid, hydrazino-, ethyl ester, hydrochloride
Acetic acid, hydrazino-, ethyl ester, monohydrochloride
Acetic acid, 2-hydrazinyl-, ethyl ester, hydrochloride (1:1)
Identifiers:
SMILES:
CCOC(=O)CNN.Cl
InChI:
InChI=1S/C4H10N2O2.ClH/c1-2-8-4(7)3-6-5;/h6H,2-3,5H2,1H3;1H
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 | 154.60 g/mol | Legacy Database |
| cas-canonical-smile | Cl.O=C(OCC)CNN | Legacy Database | |
| cas-inchi | InChI=1S/C4H10N2O2.ClH/c1-2-8-4(7)3-6-5;/h6H,2-3,5H2,1H3;1H | Legacy Database | |
| cas-inchi-key | InChIKey=HZZRIIPYFPIKHR-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 152-153 °C @ Solvent: Ethanol | Legacy Database | |
| cas-name | Acetic acid, 2-hydrazinyl-, ethyl ester, hydrochloride (1:1) | Legacy Database | |
| LogP | -0.5654000000000002 | RDKit | |
| Molecular | Molecular Weight | 154.597 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.050905272 g/mol | RDKit |
| Heavy | Heavy Atom Count | 9 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 64.35 Ų | RDKit |
| Molar | Molar Refractivity | 36.071099999999994 | RDKit |
