4-((Benzyl)amino)butyronitrile monohydrochloride
TL;DR: 4-((Benzyl)amino)butyronitrile monohydrochloride (CAS 7544-97-0) is a chemical compound with molecular formula C11H15ClN2 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzylamino)butanenitrile;hydrochloride
Also Known As: 4-(benzylamino)butanenitrile hydrochloride, 4-((Benzyl)amino)butyronitrile monohydrochloride, 4-(benzylamino)butanenitrile;hydrochloride, 4-((Benzyl)amino)butyronitrile HCl, EINECS 231-425-1
| Molecular Formula | C11H15ClN2 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 2.50178 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.09238 |
| Heavy Atoms | 14 |
| Complexity | 266.36606 |
Chemical Identifiers
| CAS Number | 7544-97-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCCC#N.Cl |
Product Overview
4-((Benzyl)amino)butyronitrile monohydrochloride (CAS 7544-97-0), with molecular formula C11H15ClN2 and molecular weight 210.09 g/mol. IUPAC: 4-(benzylamino)butanenitrile;hydrochloride.
Chemical Property Profile of 4-((Benzyl)amino)butyronitrile monohydrochloride
Property Insights of 4-((Benzyl)amino)butyronitrile monohydrochloride
The XLogP value of 2.50178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((Benzyl)amino)butyronitrile monohydrochloride. With a topological polar surface area (TPSA) of 35.82 Ų, 4-((Benzyl)amino)butyronitrile monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((Benzyl)amino)butyronitrile monohydrochloride 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-((Benzyl)amino)butyronitrile monohydrochloride?
The CAS number of 4-((Benzyl)amino)butyronitrile monohydrochloride is 7544-97-0.
What is the molecular formula of 4-((Benzyl)amino)butyronitrile monohydrochloride?
The molecular formula of 4-((Benzyl)amino)butyronitrile monohydrochloride is C11H15ClN2.
What is the molecular weight of 4-((Benzyl)amino)butyronitrile monohydrochloride?
The molecular weight of 4-((Benzyl)amino)butyronitrile monohydrochloride is 210.09 g/mol.
Where can I buy 4-((Benzyl)amino)butyronitrile monohydrochloride?
You can request a quote for 4-((Benzyl)amino)butyronitrile monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((Benzyl)amino)butyronitrile monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-((Benzyl)amino)butyronitrile monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.