1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride
TL;DR: 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride (CAS 64037-41-8) is a chemical compound with molecular formula C11H18ClNO3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3,4-dihydroxyphenyl)-1-hydroxybutan-2-yl]-methylazanium chloride
Also Known As: 1-(3,4-Dihydroxyphenyl)-2-methylamino-1-butanol hydrochloride, 1-BUTANOL, 1-(3,4-DIHYDROXYPHENYL)-2-METHYLAMINO-, HYDROCHLORIDE, [1-(3,4-dihydroxyphenyl)-1-hydroxybutan-2-yl]-methylazanium chloride, 1,2-Benzenediol, 4-[1-hydroxy-2-(methylamino)butyl]-, hydrochloride, RefChem:228789
| Molecular Formula | C11H18ClNO3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | -2.89 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09752 |
| Heavy Atoms | 16 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 64037-41-8 |
|---|---|
| SMILES | CCC(C(C1=CC(=C(C=C1)O)O)O)[NH2+]C.[Cl-] |
| InChIKey | MWTKBRSZHDQNSZ-UHFFFAOYSA-N |
Product Overview
1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride (CAS 64037-41-8), with molecular formula C11H18ClNO3 and molecular weight 247.10 g/mol. IUPAC: [1-(3,4-dihydroxyphenyl)-1-hydroxybutan-2-yl]-methylazanium chloride.
Chemical Property Profile of 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride
Property Insights of 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride
The XLogP value of -2.89 indicates that 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride. Following Lipinski's Rule of Five, 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride has 4 hydrogen bond donor(s) and 4 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 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride?
The CAS number of 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride is 64037-41-8.
What is the molecular formula of 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride?
The molecular formula of 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride is C11H18ClNO3.
What is the molecular weight of 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride?
The molecular weight of 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride is 247.10 g/mol.
Where can I buy 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride?
You can request a quote for 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.