Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride
TL;DR: Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride (CAS 42789-03-7) is a chemical compound with molecular formula C6H12ClNO2 and molecular weight 165.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-aminocyclopropane-1-carboxylate;hydrochloride
Also Known As: H-Acpc-OEt.HCl, Ethyl 1-aminocyclopropanecarboxylate hydrochloride, H-ACPC-OET HCL, 1-Aminocyclopropane-1-carboxylic acid ethyl ester hydrochloride, ACPC-OEt HCl
| Molecular Formula | C6H12ClNO2 |
|---|---|
| Molecular Weight | 165.06 g/mol |
| LogP | 0.4626 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.05565 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 42789-03-7 |
|---|---|
| SMILES | CCOC(=O)C1(CC1)N.Cl |
| InChIKey | XFNUTZWASODOQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride (CAS 42789-03-7), with molecular formula C6H12ClNO2 and molecular weight 165.06 g/mol. IUPAC: ethyl 1-aminocyclopropane-1-carboxylate;hydrochloride.
Chemical Property Profile of Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride
Property Insights of Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride
The XLogP value of 0.4626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride?
The CAS number of Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride is 42789-03-7.
What is the molecular formula of Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride?
The molecular formula of Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride is C6H12ClNO2.
What is the molecular weight of Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride?
The molecular weight of Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride is 165.06 g/mol.
Where can I buy Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride?
You can request a quote for Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-aminocyclopropane-1-carboxylate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.