3-(Pentylamino)propanenitrile
TL;DR: 3-(Pentylamino)propanenitrile (CAS 59676-91-4) is a chemical compound with molecular formula C8H16N2 and molecular weight 140.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pentylamino)propanenitrile
Also Known As: 3-(pentylamino)propanenitrile, 3-(PENTYLAMINO)PROPIONITRILE, 3-Pentylamino-propionitril, 3-(Pentylamino)propionitrile,, 3-Pentylamino-propionitrile
| Molecular Formula | C8H16N2 |
|---|---|
| Molecular Weight | 140.13 g/mol |
| LogP | 1.67988 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 140.13135 |
| Heavy Atoms | 10 |
| Complexity | 93.92094 |
Chemical Identifiers
| CAS Number | 59676-91-4 |
|---|---|
| SMILES | CCCCCNCCC#N |
Product Overview
3-(Pentylamino)propanenitrile (CAS 59676-91-4), with molecular formula C8H16N2 and molecular weight 140.13 g/mol. IUPAC: 3-(pentylamino)propanenitrile.
Chemical Property Profile of 3-(Pentylamino)propanenitrile
Property Insights of 3-(Pentylamino)propanenitrile
The XLogP value of 1.67988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pentylamino)propanenitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 3-(Pentylamino)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pentylamino)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-(Pentylamino)propanenitrile?
The CAS number of 3-(Pentylamino)propanenitrile is 59676-91-4.
What is the molecular formula of 3-(Pentylamino)propanenitrile?
The molecular formula of 3-(Pentylamino)propanenitrile is C8H16N2.
What is the molecular weight of 3-(Pentylamino)propanenitrile?
The molecular weight of 3-(Pentylamino)propanenitrile is 140.13 g/mol.
Where can I buy 3-(Pentylamino)propanenitrile?
You can request a quote for 3-(Pentylamino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pentylamino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pentylamino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.