3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1)
TL;DR: 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1) (CAS 64059-18-3) is a chemical compound with molecular formula C12H19ClN2O2 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride
Also Known As: Methylcarbamic ester of m-oxyphenyldiethylamine hydrochloride, CARBAMIC ACID, METHYL-, m-(DIETHYLAMINO)PHENYL ESTER, HYDROCHLORIDE, Carbamic acid, N-methyl-, 3-diethylaminophenyl ester, hydrochloride, diethyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride, Phenol, 3-(diethylamino)-, methylcarbamate (ester), monohydrochloride
| Molecular Formula | C12H19ClN2O2 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | -2.03 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.1135 |
| Heavy Atoms | 17 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 64059-18-3 |
|---|---|
| SMILES | CC[NH+](CC)C1=CC(=CC=C1)OC(=O)NC.[Cl-] |
| InChIKey | MIHRXNGBIICODK-UHFFFAOYSA-N |
Product Overview
3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1) (CAS 64059-18-3), with molecular formula C12H19ClN2O2 and molecular weight 258.11 g/mol. IUPAC: diethyl-[3-(methylcarbamoyloxy)phenyl]azanium chloride.
Chemical Property Profile of 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1)
Property Insights of 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1)
The XLogP value of -2.03 indicates that 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--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 42.8 Ų, 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--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 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1)?
The CAS number of 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1) is 64059-18-3.
What is the molecular formula of 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1)?
The molecular formula of 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1) is C12H19ClN2O2.
What is the molecular weight of 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1)?
The molecular weight of 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1) is 258.11 g/mol.
Where can I buy 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1)?
You can request a quote for 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--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 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylamino)phenyl hydrogen methylcarbonimidate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.