![3-[(1-Methyl-3-phenylpropyl)amino]propionitrile structure](/static/products/3027/302785-50-8.webp)
3-[(1-Methyl-3-phenylpropyl)amino]propionitrile
TL;DR: 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile (CAS 302785-50-8) is a chemical compound with molecular formula C13H18N2 and molecular weight 202.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-phenylbutan-2-ylamino)propanenitrile
Also Known As: 3-[(1-METHYL-3-PHENYLPROPYL)AMINO]PROPIONITRILE, 3- -PROPIONITRILE, 3-(4-phenylbutan-2-ylamino)propanenitrile, 3-(1-Methyl-3-phenyl-propylamino)-propionitrile, 3-[(4-phenylbutan-2-yl)amino]propanenitrile
| Molecular Formula | C13H18N2 |
|---|---|
| Molecular Weight | 202.15 g/mol |
| LogP | 2.51098 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.147 |
| Heavy Atoms | 15 |
| Complexity | 300.06204 |
Chemical Identifiers
| CAS Number | 302785-50-8 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)NCCC#N |
Product Overview
3-[(1-Methyl-3-phenylpropyl)amino]propionitrile (CAS 302785-50-8), with molecular formula C13H18N2 and molecular weight 202.15 g/mol. IUPAC: 3-(4-phenylbutan-2-ylamino)propanenitrile.
Chemical Property Profile of 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile
Property Insights of 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile
The XLogP value of 2.51098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile 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-[(1-Methyl-3-phenylpropyl)amino]propionitrile?
The CAS number of 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile is 302785-50-8.
What is the molecular formula of 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile?
The molecular formula of 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile is C13H18N2.
What is the molecular weight of 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile?
The molecular weight of 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile is 202.15 g/mol.
Where can I buy 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile?
You can request a quote for 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1-Methyl-3-phenylpropyl)amino]propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.