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Molecule
Acetic Acid, 2-Hydrazinyl-, Ethyl Ester, Hydrochloride (1:1)
CAS: 6945-92-2 · C4H11ClN2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6945-92-2
- Molecular Formula
- C4H11ClN2O2
- Molecular Mass
- 154.60 g/mol
Identifiers
CAS Registry Number
6945-92-2
SMILES
CCOC(=O)CNN.Cl
InChI Key
HZZRIIPYFPIKHR-UHFFFAOYSA-N
InChI
InChI=1S/C4H10N2O2.ClH/c1-2-8-4(7)3-6-5;/h6H,2-3,5H2,1H3;1H
Names and Synonyms
- Acetic Acid, 2-Hydrazinyl-, Ethyl Ester, Hydrochloride (1:1) Systematic Name
- Acetic acid, 2-hydrazinyl-, ethyl ester, hydrochloride (1:1) Synonym
- Acetic acid, hydrazino-, ethyl ester, monohydrochloride Synonym
- Acetic acid, hydrazino-, ethyl ester, hydrochloride Synonym
- Ethyl hydrazineacetate monohydrochloride Synonym
- Hydrazineacetic acid ethyl ester hydrochloride Synonym
- (Carbethoxymethyl)hydrazine hydrochloride Synonym
- Ethyl hydrazinoacetate hydrochloride Synonym
- Ethyl hydrazineacetate hydrochloride Synonym
- Hydrazinoacetic acid ethyl ester hydrochloride Synonym
- 2-Hydrazinylacetic acid ethyl ester hydrochloride Synonym
- Ethyl 2-(hydrazinyl)acetate hydrochloride Synonym
- Ethyl hydrazinoacetate monohydrochloride Synonym
- Ethyl 2-hydrazinoacetate hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.60 g/mol | CAS Common Chemistry |
| 154.597 g/mol | RDKit | |
| 154.594 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(OCC)CNN | CAS Common Chemistry |
| InChI | InChI=1S/C4H10N2O2.ClH/c1-2-8-4(7)3-6-5;/h6H,2-3,5H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=HZZRIIPYFPIKHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 152-153 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Acetic acid, 2-hydrazinyl-, ethyl ester, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.35 Ų | RDKit |
| LogP | -0.5654000000000002 | RDKit |
| -0.5654 | RDKit | |
| Molar Refractivity | 36.071099999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 154.050905272 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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.
External Resources
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MW = 154.60 g/mol. Edit any field — others recompute live.
