2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1)
TL;DR: 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1) (CAS 66840-27-5) is a chemical compound with molecular formula C5H13ClN2O2 and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carbamoyloxyethyl(dimethyl)azanium chloride
Also Known As: N-Demethylated carbachol hydrochloride, N-demethylcarbachol monohydrochloride, 2-carbamoyloxyethyl(dimethyl)azanium chloride, CARBAMIC ACID, 2-(DIMETHYLAMINO)ETHYL ESTER, MONOHYDROCHLORIDE, 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1)
| Molecular Formula | C5H13ClN2O2 |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | -4.77 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.06656 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 66840-27-5 |
|---|---|
| SMILES | C[NH+](C)CCOC(=O)N.[Cl-] |
| InChIKey | POHVKKYDZVLISU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1) (CAS 66840-27-5), with molecular formula C5H13ClN2O2 and molecular weight 168.07 g/mol. IUPAC: 2-carbamoyloxyethyl(dimethyl)azanium chloride.
Chemical Property Profile of 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1)
Property Insights of 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1)
The XLogP value of -4.77 indicates that 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.8 Ų, 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1) 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 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1)?
The CAS number of 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1) is 66840-27-5.
What is the molecular formula of 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1)?
The molecular formula of 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1) is C5H13ClN2O2.
What is the molecular weight of 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1)?
The molecular weight of 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1) is 168.07 g/mol.
Where can I buy 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1)?
You can request a quote for 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)ethyl hydrogen carbonimidate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.