Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate
TL;DR: Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate (CAS 64046-16-8) is a chemical compound with molecular formula C12H19BrN2O2 and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl-dimethyl-[3-(methylcarbamoyloxy)phenyl]azanium bromide
Also Known As: AR-14 nerve agent, <3,5-D2>phenol, Methylcarbamic ester of 3-oxyphenyldimethylethylammonium bromide, AMMONIUM, (m-HYDROXYPHENYL)DIMETHYLETHYL-, BROMIDE, METHYLCARBAMATE, Ammonium, (3-(N-methylcarbamoyloxy)phenyl)dimethylethyl-, bromide
| Molecular Formula | C12H19BrN2O2 |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.063 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 64046-16-8 |
|---|---|
| SMILES | CC[N+](C)(C)C1=CC(=CC=C1)OC(=O)NC.[Br-] |
| InChIKey | QYROQWSAAHWSRH-UHFFFAOYSA-N |
Product Overview
Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate (CAS 64046-16-8), with molecular formula C12H19BrN2O2 and molecular weight 302.06 g/mol. IUPAC: ethyl-dimethyl-[3-(methylcarbamoyloxy)phenyl]azanium bromide.
Chemical Property Profile of Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate
Property Insights of Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate
The XLogP value of -1.0 indicates that Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.3 Ų, Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate has 1 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 Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate?
The CAS number of Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate is 64046-16-8.
What is the molecular formula of Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate?
The molecular formula of Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate is C12H19BrN2O2.
What is the molecular weight of Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate?
The molecular weight of Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate is 302.06 g/mol.
Where can I buy Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate?
You can request a quote for Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (m-hydroxyphenyl)dimethylethyl-, bromide, methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.