5-(Benzylamino)pentanenitrile
TL;DR: 5-(Benzylamino)pentanenitrile (CAS 919710-00-2) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylamino)pentanenitrile
Also Known As: 5-(benzylamino)pentanenitrile
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 2.47008 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 274.12326 |
Chemical Identifiers
| CAS Number | 919710-00-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCCCC#N |
Product Overview
5-(Benzylamino)pentanenitrile (CAS 919710-00-2), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: 5-(benzylamino)pentanenitrile.
Chemical Property Profile of 5-(Benzylamino)pentanenitrile
Property Insights of 5-(Benzylamino)pentanenitrile
The XLogP value of 2.47008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Benzylamino)pentanenitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 5-(Benzylamino)pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Benzylamino)pentanenitrile 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 5-(Benzylamino)pentanenitrile?
The CAS number of 5-(Benzylamino)pentanenitrile is 919710-00-2.
What is the molecular formula of 5-(Benzylamino)pentanenitrile?
The molecular formula of 5-(Benzylamino)pentanenitrile is C12H16N2.
What is the molecular weight of 5-(Benzylamino)pentanenitrile?
The molecular weight of 5-(Benzylamino)pentanenitrile is 188.13 g/mol.
Where can I buy 5-(Benzylamino)pentanenitrile?
You can request a quote for 5-(Benzylamino)pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Benzylamino)pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzylamino)pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.