4-氨基苯乙腈盐酸盐
TL;DR: 4-氨基苯乙腈盐酸盐 (CAS 3457-99-6) is a chemical compound with molecular formula C8H9ClN2 and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氨基苯乙腈盐酸盐
2-(4-aminophenyl)acetonitrile;hydrochloride
Also Known As: Ametryn, 2-(4-aminophenyl)acetonitrile hydrochloride, p-Aminobenzyl cyanide, (4-Aminophenyl)acetonitrile hydrochloride, Acetonitrile, hydrochloride
| Molecular Formula | C8H9ClN2 |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 1.76 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.04543 |
| Heavy Atoms | 11 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 3457-99-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)N.Cl |
| InChIKey | JMGBJPJOBHXMID-UHFFFAOYSA-N |
Product Overview
4-氨基苯乙腈盐酸盐 (CAS 3457-99-6), with molecular formula C8H9ClN2 and molecular weight 168.05 g/mol. IUPAC: 2-(4-aminophenyl)acetonitrile;hydrochloride.
Chemical Property Profile of 4-氨基苯乙腈盐酸盐
Property Insights of 4-氨基苯乙腈盐酸盐
The XLogP value of 1.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氨基苯乙腈盐酸盐. With a topological polar surface area (TPSA) of 49.8 Ų, 4-氨基苯乙腈盐酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氨基苯乙腈盐酸盐 has 2 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-氨基苯乙腈盐酸盐?
The CAS number of 4-氨基苯乙腈盐酸盐 is 3457-99-6.
What is the molecular formula of 4-氨基苯乙腈盐酸盐?
The molecular formula of 4-氨基苯乙腈盐酸盐 is C8H9ClN2.
What is the molecular weight of 4-氨基苯乙腈盐酸盐?
The molecular weight of 4-氨基苯乙腈盐酸盐 is 168.05 g/mol.
Where can I buy 4-氨基苯乙腈盐酸盐?
You can request a quote for 4-氨基苯乙腈盐酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氨基苯乙腈盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基苯乙腈盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.