1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine
TL;DR: 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine (CAS 894694-06-5) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-amine
Also Known As: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-amine, BAS 03213268, 1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)butan-1-amine, 1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-butylamine, 1-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)butylamine
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.2577 |
| Topological Polar Surface Area | 44.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 338.39404 |
Chemical Identifiers
| CAS Number | 894694-06-5 |
|---|---|
| SMILES | CCCC(C1=CC2=C(C=C1)OCCO2)N |
Product Overview
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine (CAS 894694-06-5), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-amine.
Chemical Property Profile of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine
Property Insights of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine
The XLogP value of 2.2577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine. With a topological polar surface area (TPSA) of 44.48 Ų, 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-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 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine?
The CAS number of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine is 894694-06-5.
What is the molecular formula of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine?
The molecular formula of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine is C12H17NO2.
What is the molecular weight of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine?
The molecular weight of 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine is 207.13 g/mol.
Where can I buy 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine?
You can request a quote for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)butan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.