![3-[Benzyl(methyl)amino]propanenitrile structure](/static/products/1005/100551-79-9.webp)
3-[Benzyl(methyl)amino]propanenitrile
TL;DR: 3-[Benzyl(methyl)amino]propanenitrile (CAS 100551-79-9) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[benzyl(methyl)amino]propanenitrile
Also Known As: 3-[benzyl(methyl)amino]propanenitrile, 3-(benzyl(methyl)amino)propanenitrile, 3-(Methylbenzylamino)propanenitrile, 3-(Benzyl(methyl)amino)propionitrile, 3-(benzyl-methyl-amino)propanenitrile
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 2.03208 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 273.89178 |
Chemical Identifiers
| CAS Number | 100551-79-9 |
|---|---|
| SMILES | CN(CCC#N)CC1=CC=CC=C1 |
Product Overview
3-[Benzyl(methyl)amino]propanenitrile (CAS 100551-79-9), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 3-[benzyl(methyl)amino]propanenitrile.
Chemical Property Profile of 3-[Benzyl(methyl)amino]propanenitrile
Property Insights of 3-[Benzyl(methyl)amino]propanenitrile
The XLogP value of 2.03208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[Benzyl(methyl)amino]propanenitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 3-[Benzyl(methyl)amino]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[Benzyl(methyl)amino]propanenitrile has 0 hydrogen bond donor(s) and 2 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-[Benzyl(methyl)amino]propanenitrile?
The CAS number of 3-[Benzyl(methyl)amino]propanenitrile is 100551-79-9.
What is the molecular formula of 3-[Benzyl(methyl)amino]propanenitrile?
The molecular formula of 3-[Benzyl(methyl)amino]propanenitrile is C11H14N2.
What is the molecular weight of 3-[Benzyl(methyl)amino]propanenitrile?
The molecular weight of 3-[Benzyl(methyl)amino]propanenitrile is 174.12 g/mol.
Where can I buy 3-[Benzyl(methyl)amino]propanenitrile?
You can request a quote for 3-[Benzyl(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-[Benzyl(methyl)amino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[Benzyl(methyl)amino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.