Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride
TL;DR: Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride (CAS 64895-31-4) is a chemical compound with molecular formula C20H14ClN3 and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(acridin-9-ylamino)benzonitrile;hydrochloride
Also Known As: 4-(9-Acridinylamino)benzonitrile monohydrochloride, Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride, 4-(acridin-9-ylamino)benzonitrile hydrochloride, 4-(acridin-9-ylamino)benzonitrile,hydrochloride, 4-[(Acridin-9-yl)amino]benzonitrile--hydrogen chloride (1/1)
| Molecular Formula | C20H14ClN3 |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 5.42508 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.08762 |
| Heavy Atoms | 24 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 64895-31-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)C#N.Cl |
| InChIKey | YJPKNQAYTOMARA-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride (CAS 64895-31-4), with molecular formula C20H14ClN3 and molecular weight 331.09 g/mol. IUPAC: 4-(acridin-9-ylamino)benzonitrile;hydrochloride.
Chemical Property Profile of Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride
Property Insights of Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride
The XLogP value of 5.42508 indicates that Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.7 Ų, Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride?
The CAS number of Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride is 64895-31-4.
What is the molecular formula of Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride?
The molecular formula of Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride is C20H14ClN3.
What is the molecular weight of Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride?
The molecular weight of Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride is 331.09 g/mol.
Where can I buy Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride?
You can request a quote for Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(9-acridinylamino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.