(2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium
TL;DR: (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium (CAS 15205-27-3) is a chemical compound with molecular formula C9H12NO2+ and molecular weight 166.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl(methyl)azanium
Also Known As: 1,3-benzodioxol-5-ylmethyl(methyl)azanium, 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine, (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium
| Molecular Formula | C9H12NO2+ |
|---|---|
| Molecular Weight | 166.09 g/mol |
| LogP | 0.1085 |
| Topological Polar Surface Area | 35.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.0868 |
| Heavy Atoms | 12 |
| Complexity | 285.85706 |
Chemical Identifiers
| CAS Number | 15205-27-3 |
|---|---|
| SMILES | C[NH2+]CC1=CC2=C(C=C1)OCO2 |
Product Overview
(2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium (CAS 15205-27-3), with molecular formula C9H12NO2+ and molecular weight 166.09 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl(methyl)azanium.
Chemical Property Profile of (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium
Property Insights of (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium
The XLogP value of 0.1085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium. With a topological polar surface area (TPSA) of 35.07 Ų, (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium has 1 hydrogen bond donor(s) and 2 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 (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium?
The CAS number of (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium is 15205-27-3.
What is the molecular formula of (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium?
The molecular formula of (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium is C9H12NO2+.
What is the molecular weight of (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium?
The molecular weight of (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium is 166.09 g/mol.
Where can I buy (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium?
You can request a quote for (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium?
Yes, KEHONG BIO provides custom synthesis services for (2H-1,3-Benzodioxol-5-yl)-N-methylmethanaminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.