Ethyl 3-ethoxy-3-imino-propionate hydrochloride - CAS 2318-25-4
Catalog: |
BB017970 |
Product Name: |
Ethyl 3-ethoxy-3-imino-propionate hydrochloride |
CAS: |
2318-25-4 |
Synonyms: |
ethyl 3-ethoxy-3-iminopropanoate;hydrochloride |
IUPAC Name: | ethyl 3-ethoxy-3-iminopropanoate;hydrochloride |
Description: | Ethyl 3-ethoxy-3-imino-propionate hydrochloride (CAS# 2318-25-4) is a useful research chemical compound. |
Molecular Weight: | 195.64 |
Molecular Formula: | C7H13NO3·HCl |
Canonical SMILES: | CCOC(=N)CC(=O)OCC.Cl |
InChI: | InChI=1S/C7H13NO3.ClH/c1-3-10-6(8)5-7(9)11-4-2;/h8H,3-5H2,1-2H3;1H |
InChI Key: | HYMXUYQKXCHWDC-UHFFFAOYSA-N |
Boiling Point: | 185.7 °C at 760 mmHg |
Purity: | 85.0 % |
Appearance: | White crystalline powder |
Storage: | 2-8 °C |
MDL: | MFCD00051405 |
LogP: | 1.85510 |
GHS Hazard Statement: | H315 (97.73%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021115375-A1 | Nitrogen-containing heterocyclic autotaxin inhibitor, and composition containing same and use thereof | 20191211 |
WO-2021048342-A1 | Antibacterial compounds | 20190913 |
US-2020383960-A1 | Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis | 20190610 |
WO-2020250116-A1 | Pyridine and pyrazine derivative for the treatment of cf, copd, and bronchiectasis | 20190610 |
CN-108610293-B | Method for preparing dorvitinib intermediate by adopting microchannel reaction device | 20180615 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0662210 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0662210 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 59.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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