1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride
TL;DR: 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride (CAS 113527-36-9) 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.
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]butan-2-amine;hydrochloride
Also Known As: alpha-Methyl-N-(1-methylpropyl)-1,3-benzodioxole-5-ethanamine hydrochloride, 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride, N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]butan-2-amine hydrochloride, N-[1-(2H-1,3-Benzodioxol-5-yl)propan-2-yl]butan-2-amine--hydrogen chloride (1/1), RefChem:217940
| Molecular Formula | C14H22ClNO2 |
|---|---|
| Molecular Weight | 271.13 g/mol |
| LogP | 3.1562 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.1339 |
| Heavy Atoms | 18 |
| Complexity | 384.0568 |
Chemical Identifiers
| CAS Number | 113527-36-9 |
|---|---|
| SMILES | CCC(C)NC(C)CC1=CC2=C(C=C1)OCO2.Cl |
Product Overview
1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride (CAS 113527-36-9), with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol. IUPAC: N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]butan-2-amine;hydrochloride.
Chemical Property Profile of 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride
Property Insights of 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride
The XLogP value of 3.1562 indicates that 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, 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 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride?
The CAS number of 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride is 113527-36-9.
What is the molecular formula of 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride?
The molecular formula of 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride is C14H22ClNO2.
What is the molecular weight of 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride?
The molecular weight of 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride is 271.13 g/mol.
Where can I buy 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride?
You can request a quote for 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-ethanamine, alpha-methyl-N-(1-methylpropyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.