TL;DR: Methyl ethanimidate, hydrochloride (CAS 14777-27-6) is a chemical compound with molecular formula C3H8ClNO and molecular weight 109.02944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxyethylideneazanium chloride
Also Known As: MethylacetimidateHCl, Methyl acetimidate hydrochloride, Methylacetimidate hydrochloride, Methyl ethanimidate, hydrochloride, 1-methoxyethylideneazanium chloride
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C3H8ClNO |
| Molecular Weight | 109.02944 g/mol |
| XLogP | -4.19 |
| Topological Polar Surface Area (TPSA) | 34.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 109.02944 Da |
| Heavy Atoms | 6 |
| Complexity | 42.0 |
| SMILES | CC(=[NH2+])OC.[Cl-] |
| InChIKey | WHYJXXISOUGFLJ-UHFFFAOYSA-N |
The XLogP value of -4.19 indicates that Methyl ethanimidate, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.8 Ų, Methyl ethanimidate, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl ethanimidate, hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl ethanimidate, hydrochloride is 14777-27-6.
The molecular formula of Methyl ethanimidate, hydrochloride is C3H8ClNO.
The molecular weight of Methyl ethanimidate, hydrochloride is 109.02944 g/mol.
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