1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)-
TL;DR: 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)- (CAS 112767-80-3) is a chemical compound with molecular formula C13H22ClNO3 and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethoxyphenyl)methyl-(1-hydroxybutan-2-yl)azanium chloride
Also Known As: (R)-2-(((3,4-Dimethoxyphenyl)methyl)amino)-1-butanol hydrochloride, (3,4-dimethoxyphenyl)methyl-(1-hydroxybutan-2-yl)azanium chloride, 1-BUTANOL, 2-(((3,4-DIMETHOXYPHENYL)METHYL)AMINO)-, HYDROCHLORIDE, (R)-, n-(3,4-dimethoxybenzyl)-1-hydroxybutan-2-aminium chloride, 1-BUTANOL, 2-(((3,4-DIMETHOXYPHENYL)METHYL)AMINO)-, HYDROCHLORIDE, (S)-
| Molecular Formula | C13H22ClNO3 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | -2.46 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.1288 |
| Heavy Atoms | 18 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 112767-80-3 |
|---|---|
| SMILES | CCC(CO)[NH2+]CC1=CC(=C(C=C1)OC)OC.[Cl-] |
| InChIKey | JUNPRUKHHLAGSQ-UHFFFAOYSA-N |
Product Overview
1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)- (CAS 112767-80-3), with molecular formula C13H22ClNO3 and molecular weight 275.13 g/mol. IUPAC: (3,4-dimethoxyphenyl)methyl-(1-hydroxybutan-2-yl)azanium chloride.
Chemical Property Profile of 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)-
Property Insights of 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)-
The XLogP value of -2.46 indicates that 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.3 Ų, 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)- has 2 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, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)-?
The CAS number of 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)- is 112767-80-3.
What is the molecular formula of 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)-?
The molecular formula of 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)- is C13H22ClNO3.
What is the molecular weight of 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)-?
The molecular weight of 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)- is 275.13 g/mol.
Where can I buy 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)-?
You can request a quote for 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanol, 2-(((3,4-dimethoxyphenyl)methyl)amino)-, hydrochloride, (R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.