4-(Benzylamino)butanenitrile
TL;DR: 4-(Benzylamino)butanenitrile (CAS 71510-64-0) 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.
4-(benzylamino)butanenitrile
Also Known As: 4-(benzylamino)butanenitrile, 4-benzylaminobutyronitrile, 4-((Benzyl)amino)butyronitrile, N-(3-cyanopropyl)benzylamine, EINECS 275-588-7
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 2.07998 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 261.16882 |
Chemical Identifiers
| CAS Number | 71510-64-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCCC#N |
Product Overview
4-(Benzylamino)butanenitrile (CAS 71510-64-0), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 4-(benzylamino)butanenitrile.
Chemical Property Profile of 4-(Benzylamino)butanenitrile
Property Insights of 4-(Benzylamino)butanenitrile
The XLogP value of 2.07998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzylamino)butanenitrile. With a topological polar surface area (TPSA) of 35.82 Ų, 4-(Benzylamino)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzylamino)butanenitrile 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 4-(Benzylamino)butanenitrile?
The CAS number of 4-(Benzylamino)butanenitrile is 71510-64-0.
What is the molecular formula of 4-(Benzylamino)butanenitrile?
The molecular formula of 4-(Benzylamino)butanenitrile is C11H14N2.
What is the molecular weight of 4-(Benzylamino)butanenitrile?
The molecular weight of 4-(Benzylamino)butanenitrile is 174.12 g/mol.
Where can I buy 4-(Benzylamino)butanenitrile?
You can request a quote for 4-(Benzylamino)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzylamino)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylamino)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.