![2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile structure](/static/products/3201/3201-33-0.webp)
2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile
TL;DR: 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile (CAS 3201-33-0) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylamino)propanenitrile
Also Known As: NCIOpen2_006099, 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile, 2-(1,3-benzodioxol-5-ylmethylamino)propanenitrile, Propanenitrile, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-, 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}propanenitrile
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 3201-33-0 |
|---|---|
| SMILES | CC(C#N)NCC1=CC2=C(C=C1)OCO2 |
| InChIKey | WWFALCGFYXVWLG-UHFFFAOYSA-N |
Product Overview
2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile (CAS 3201-33-0), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylamino)propanenitrile.
Chemical Property Profile of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile
Property Insights of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile. With a topological polar surface area (TPSA) of 54.3 Ų, 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1,3-Benzodioxol-5-ylmethyl)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 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile?
The CAS number of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile is 3201-33-0.
What is the molecular formula of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile?
The molecular formula of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile is C11H12N2O2.
What is the molecular weight of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile?
The molecular weight of 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile is 204.09 g/mol.
Where can I buy 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile?
You can request a quote for 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-Benzodioxol-5-ylmethyl)amino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.