N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine (CAS 68291-93-0) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine, [(2H-1,3-benzodioxol-5-yl)methyl](propyl)amine, N-Propyl-1,3-benzodioxole-5-methanamine, N-(benzo[1,3]dioxol-5-ylmethyl)propan-1-amine, 5-(Propylaminomethyl)-1,3-benzodioxole
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 1.9149 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 312.15588 |
Chemical Identifiers
| CAS Number | 68291-93-0 |
|---|---|
| SMILES | CCCNCC1=CC2=C(C=C1)OCO2 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine (CAS 68291-93-0), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine
The XLogP value of 1.9149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine. With a topological polar surface area (TPSA) of 30.49 Ų, N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine 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 N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine is 68291-93-0.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine is C11H15NO2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine is 193.11 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.