![3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile structure](/static/products/5598/55982-97-3.webp)
3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile
TL;DR: 3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile (CAS 55982-97-3) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethylamino]propanenitrile
Also Known As: 3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile, 3-[2-(3,4-dimethoxyphenyl)ethylamino]propanenitrile, 3-((3,4-Dimethoxyphenethyl)amino)propanenitrile, 3-{[2-(3,4-Dimethoxyphenyl)ethyl]-amino}propanenitrile, 3-[ AMINO]PROPANENITRILE
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 1.74958 |
| Topological Polar Surface Area | 54.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 385.49612 |
Chemical Identifiers
| CAS Number | 55982-97-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNCCC#N)OC |
Product Overview
3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile (CAS 55982-97-3), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethylamino]propanenitrile.
Chemical Property Profile of 3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile
Property Insights of 3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile
The XLogP value of 1.74958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile. With a topological polar surface area (TPSA) of 54.28 Ų, 3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3,4-Dimethoxyphenethyl)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-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile?
The CAS number of 3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile is 55982-97-3.
What is the molecular formula of 3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile?
The molecular formula of 3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile is C13H18N2O2.
What is the molecular weight of 3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile?
The molecular weight of 3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile is 234.14 g/mol.
Where can I buy 3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile?
You can request a quote for 3-[(3,4-Dimethoxyphenethyl)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-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-Dimethoxyphenethyl)Amino]Propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.