4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1)
TL;DR: 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1) (CAS 53581-65-0) is a chemical compound with molecular formula C11H16ClNO2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)butan-2-amine;hydrochloride
Also Known As: 1,3-Benzodioxole-5-propanamine, alpha-methyl-, hydrochloride, (+-)-, (+-)-1-Methyl-3-(3,4-(methylenedioxy)phenyl)propylamine hydrochloride, 4-(1,3-benzodioxol-5-yl)butan-2-amine hydrochloride, 4-(1,3-benzodioxol-5-yl)butan-2-amine,hydrochloride, Propylamine, 1-methyl-3-(3,4-(methylenedioxy)phenyl)-, hydrochloride, (+-)-
| Molecular Formula | C11H16ClNO2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 2.1169 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.08696 |
| Heavy Atoms | 15 |
| Complexity | 328.364 |
Chemical Identifiers
| CAS Number | 53581-65-0 |
|---|---|
| SMILES | CC(CCC1=CC2=C(C=C1)OCO2)N.Cl |
Product Overview
4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1) (CAS 53581-65-0), with molecular formula C11H16ClNO2 and molecular weight 229.09 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)butan-2-amine;hydrochloride.
Chemical Property Profile of 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1)
Property Insights of 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1)
The XLogP value of 2.1169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 44.48 Ų, 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--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 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1)?
The CAS number of 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1) is 53581-65-0.
What is the molecular formula of 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1)?
The molecular formula of 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1) is C11H16ClNO2.
What is the molecular weight of 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1)?
The molecular weight of 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1) is 229.09 g/mol.
Where can I buy 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1)?
You can request a quote for 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--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 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(2H-1,3-Benzodioxol-5-yl)butan-2-amine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.