Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1)
TL;DR: Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1) (CAS 66922-80-3) is a chemical compound with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dimethylphenyl)-4-ethoxy-4-oxobutyl]azanium chloride
Also Known As: Ethyl 4-amino-2-(3,4-xylyl)butyrate hydrochloride, BUTYRIC ACID, 4-AMINO-2-(3,4-XYLYL)-, ETHYL ESTER, HYDROCHLORIDE, [3-(3,4-dimethylphenyl)-4-ethoxy-4-oxobutyl]azanium chloride, Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1), Benzeneacetic acid, .alpha.-(2-aminoethyl)-3,4-dimethyl-, ethyl ester, hydrochloride
| Molecular Formula | C14H22ClNO2 |
|---|---|
| Molecular Weight | 271.13 g/mol |
| LogP | -1.41 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.1339 |
| Heavy Atoms | 18 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 66922-80-3 |
|---|---|
| SMILES | CCOC(=O)C(CC[NH3+])C1=CC(=C(C=C1)C)C.[Cl-] |
| InChIKey | IYDLWHGJXOUPJT-UHFFFAOYSA-N |
Product Overview
Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1) (CAS 66922-80-3), with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol. IUPAC: [3-(3,4-dimethylphenyl)-4-ethoxy-4-oxobutyl]azanium chloride.
Chemical Property Profile of Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1)
Property Insights of Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1)
The XLogP value of -1.41 indicates that Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--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 53.9 Ų, Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1) 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 Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1)?
The CAS number of Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1) is 66922-80-3.
What is the molecular formula of Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1)?
The molecular formula of Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1) is C14H22ClNO2.
What is the molecular weight of Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1)?
The molecular weight of Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1) is 271.13 g/mol.
Where can I buy Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1)?
You can request a quote for Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--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 Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.