(1,3-二氧杂茚-5-基甲基)(甲基)胺
TL;DR: (1,3-二氧杂茚-5-基甲基)(甲基)胺 (CAS 53942-89-5) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-二氧杂茚-5-基甲基)(甲基)胺
1-(1,3-benzodioxol-5-yl)-N-methylmethanamine
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-N-methylamine, n-methylpiperonylamine, Methylpiperonylamine, methyl-piperonyl-amine, 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 53942-89-5 |
|---|---|
| SMILES | CNCC1=CC2=C(C=C1)OCO2 |
| InChIKey | CEPGPPSMCRKGFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,3-二氧杂茚-5-基甲基)(甲基)胺 (CAS 53942-89-5), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine.
Chemical Property Profile of (1,3-二氧杂茚-5-基甲基)(甲基)胺
Property Insights of (1,3-二氧杂茚-5-基甲基)(甲基)胺
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-二氧杂茚-5-基甲基)(甲基)胺. With a topological polar surface area (TPSA) of 30.5 Ų, (1,3-二氧杂茚-5-基甲基)(甲基)胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,3-二氧杂茚-5-基甲基)(甲基)胺 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 (1,3-二氧杂茚-5-基甲基)(甲基)胺?
The CAS number of (1,3-二氧杂茚-5-基甲基)(甲基)胺 is 53942-89-5.
What is the molecular formula of (1,3-二氧杂茚-5-基甲基)(甲基)胺?
The molecular formula of (1,3-二氧杂茚-5-基甲基)(甲基)胺 is C9H11NO2.
What is the molecular weight of (1,3-二氧杂茚-5-基甲基)(甲基)胺?
The molecular weight of (1,3-二氧杂茚-5-基甲基)(甲基)胺 is 165.08 g/mol.
Where can I buy (1,3-二氧杂茚-5-基甲基)(甲基)胺?
You can request a quote for (1,3-二氧杂茚-5-基甲基)(甲基)胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-二氧杂茚-5-基甲基)(甲基)胺?
Yes, KEHONG BIO provides custom synthesis services for (1,3-二氧杂茚-5-基甲基)(甲基)胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.