![3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile structure](/static/products/337/337310-89-1.png)
3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile
TL;DR: 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile (CAS 337310-89-1) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propanenitrile
Also Known As: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propanenitrile, 3-(((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile, 3-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-ylmethylamino)propanenitrile, 3-[(2,3-DIHYDRO-1,4-BENZODIOXIN-2-YLMETHYL)AMINO]PROPANENITRILE HYDROCHLORIDE
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 1.32968 |
| Topological Polar Surface Area | 54.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 386.8503 |
Chemical Identifiers
| CAS Number | 337310-89-1 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)CNCCC#N |
Product Overview
3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile (CAS 337310-89-1), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propanenitrile.
Chemical Property Profile of 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile
Property Insights of 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile
The XLogP value of 1.32968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile. With a topological polar surface area (TPSA) of 54.28 Ų, 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile has 1 hydrogen bond donor(s) and 4 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 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile?
The CAS number of 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile is 337310-89-1.
What is the molecular formula of 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile?
The molecular formula of 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile is C12H14N2O2.
What is the molecular weight of 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile?
The molecular weight of 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile is 218.11 g/mol.
Where can I buy 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile?
You can request a quote for 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(((2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl)amino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.