Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride
TL;DR: Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride (CAS 3854-11-3) is a chemical compound with molecular formula C9H17ClN2O2 and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylcarbamoyloxy)but-2-ynyl-dimethylazanium chloride
Also Known As: 4-Dimethylaminobut-2-ynyl dimethylcarbamate hydrochloride, 4-(dimethylcarbamoyloxy)but-2-ynyl-dimethylazanium chloride, 2-Butyn-1-ol, 4-(dimethylamino)-, dimethylcarbamate, hydrochloride, CARBAMIC ACID, DIMETHYL-, 4-(DIMETHYLAMINO)-2-BUTYNYL ESTER, HYDROCHLORIDE, RefChem:1080895
| Molecular Formula | C9H17ClN2O2 |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | -4.16 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.09785 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 3854-11-3 |
|---|---|
| SMILES | C[NH+](C)CC#CCOC(=O)N(C)C.[Cl-] |
| InChIKey | UNGXJMIAUCQUTF-UHFFFAOYSA-N |
Product Overview
Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride (CAS 3854-11-3), with molecular formula C9H17ClN2O2 and molecular weight 220.10 g/mol. IUPAC: 4-(dimethylcarbamoyloxy)but-2-ynyl-dimethylazanium chloride.
Chemical Property Profile of Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride
Property Insights of Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride
The XLogP value of -4.16 indicates that Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.0 Ų, Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride 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 Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride?
The CAS number of Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride is 3854-11-3.
What is the molecular formula of Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride?
The molecular formula of Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride is C9H17ClN2O2.
What is the molecular weight of Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride?
The molecular weight of Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride is 220.10 g/mol.
Where can I buy Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride?
You can request a quote for Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, dimethyl-, 4-(dimethylamino)-2-butynyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.