4-(Aminomethyl)benzonitrile;methanesulfonic acid
TL;DR: 4-(Aminomethyl)benzonitrile;methanesulfonic acid (CAS 251902-87-1) is a chemical compound with molecular formula C9H12N2O3S and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(aminomethyl)benzonitrile;methanesulfonic acid
Also Known As: 4-Aminomethylbenzonitrile methanesulfonate, IUPAC: 4-(aminomethyl)benzonitrile; Methanesulfonic Acid
| Molecular Formula | C9H12N2O3S |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 0.52098 |
| Topological Polar Surface Area | 104.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.05687 |
| Heavy Atoms | 15 |
| Complexity | 423.4204 |
Chemical Identifiers
| CAS Number | 251902-87-1 |
|---|---|
| SMILES | CS(=O)(=O)O.C1=CC(=CC=C1CN)C#N |
Product Overview
4-(Aminomethyl)benzonitrile;methanesulfonic acid (CAS 251902-87-1), with molecular formula C9H12N2O3S and molecular weight 228.06 g/mol. IUPAC: 4-(aminomethyl)benzonitrile;methanesulfonic acid.
Chemical Property Profile of 4-(Aminomethyl)benzonitrile;methanesulfonic acid
Property Insights of 4-(Aminomethyl)benzonitrile;methanesulfonic acid
The XLogP value of 0.52098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Aminomethyl)benzonitrile;methanesulfonic acid. The TPSA of 104.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Aminomethyl)benzonitrile;methanesulfonic acid. Following Lipinski's Rule of Five, 4-(Aminomethyl)benzonitrile;methanesulfonic acid has 2 hydrogen bond donor(s) and 4 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-(Aminomethyl)benzonitrile;methanesulfonic acid?
The CAS number of 4-(Aminomethyl)benzonitrile;methanesulfonic acid is 251902-87-1.
What is the molecular formula of 4-(Aminomethyl)benzonitrile;methanesulfonic acid?
The molecular formula of 4-(Aminomethyl)benzonitrile;methanesulfonic acid is C9H12N2O3S.
What is the molecular weight of 4-(Aminomethyl)benzonitrile;methanesulfonic acid?
The molecular weight of 4-(Aminomethyl)benzonitrile;methanesulfonic acid is 228.06 g/mol.
Where can I buy 4-(Aminomethyl)benzonitrile;methanesulfonic acid?
You can request a quote for 4-(Aminomethyl)benzonitrile;methanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Aminomethyl)benzonitrile;methanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Aminomethyl)benzonitrile;methanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.