4-氨基氰化苄
TL;DR: 4-氨基氰化苄 (CAS 3544-25-0) is a chemical compound with molecular formula C8H8N2 and molecular weight 132.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氨基氰化苄
2-(4-aminophenyl)acetonitrile
Also Known As: 4-Aminobenzyl cyanide, 4-Aminophenylacetonitrile, 2-(4-aminophenyl)acetonitrile, (4-aminophenyl)acetonitrile, p-Aminobenzyl cyanide
| Molecular Formula | C8H8N2 |
|---|---|
| Molecular Weight | 132.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.06874 |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 3544-25-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)N |
| InChIKey | YCWRFIYBUQBHJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氨基氰化苄 (CAS 3544-25-0), with molecular formula C8H8N2 and molecular weight 132.07 g/mol. IUPAC: 2-(4-aminophenyl)acetonitrile.
Chemical Property Profile of 4-氨基氰化苄
Property Insights of 4-氨基氰化苄
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氨基氰化苄. With a topological polar surface area (TPSA) of 49.8 Ų, 4-氨基氰化苄 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氨基氰化苄 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-氨基氰化苄?
The CAS number of 4-氨基氰化苄 is 3544-25-0.
What is the molecular formula of 4-氨基氰化苄?
The molecular formula of 4-氨基氰化苄 is C8H8N2.
What is the molecular weight of 4-氨基氰化苄?
The molecular weight of 4-氨基氰化苄 is 132.07 g/mol.
Where can I buy 4-氨基氰化苄?
You can request a quote for 4-氨基氰化苄 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氨基氰化苄?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基氰化苄 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.