![3-[(4-Methylphenyl)amino]propanenitrile structure](/static/products/1077/1077-24-3.webp)
3-[(4-Methylphenyl)amino]propanenitrile
TL;DR: 3-[(4-Methylphenyl)amino]propanenitrile (CAS 1077-24-3) is a chemical compound with molecular formula C10H12N2 and molecular weight 160.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylanilino)propanenitrile
Also Known As: 3-p-Tolylamino-propionitrile, 3-(p-Tolylamino)propanenitrile, 3-(4-methylanilino)propanenitrile, 3-[(4-methylphenyl)amino]propanenitrile, 3-(p-tolylamino)propionitrile
| Molecular Formula | C10H12N2 |
|---|---|
| Molecular Weight | 160.10 g/mol |
| LogP | 2.3206 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.10005 |
| Heavy Atoms | 12 |
| Complexity | 268.8852 |
Chemical Identifiers
| CAS Number | 1077-24-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCCC#N |
Product Overview
3-[(4-Methylphenyl)amino]propanenitrile (CAS 1077-24-3), with molecular formula C10H12N2 and molecular weight 160.10 g/mol. IUPAC: 3-(4-methylanilino)propanenitrile.
Chemical Property Profile of 3-[(4-Methylphenyl)amino]propanenitrile
Property Insights of 3-[(4-Methylphenyl)amino]propanenitrile
The XLogP value of 2.3206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Methylphenyl)amino]propanenitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 3-[(4-Methylphenyl)amino]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Methylphenyl)amino]propanenitrile has 1 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-[(4-Methylphenyl)amino]propanenitrile?
The CAS number of 3-[(4-Methylphenyl)amino]propanenitrile is 1077-24-3.
What is the molecular formula of 3-[(4-Methylphenyl)amino]propanenitrile?
The molecular formula of 3-[(4-Methylphenyl)amino]propanenitrile is C10H12N2.
What is the molecular weight of 3-[(4-Methylphenyl)amino]propanenitrile?
The molecular weight of 3-[(4-Methylphenyl)amino]propanenitrile is 160.10 g/mol.
Where can I buy 3-[(4-Methylphenyl)amino]propanenitrile?
You can request a quote for 3-[(4-Methylphenyl)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-[(4-Methylphenyl)amino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Methylphenyl)amino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.