氯化(4-(氰基(间甲苯基)甲基)苯基)铵
TL;DR: 氯化(4-(氰基(间甲苯基)甲基)苯基)铵 (CAS 83763-14-8) is a chemical compound with molecular formula C15H14N2 and molecular weight 222.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯化(4-(氰基(间甲苯基)甲基)苯基)铵
2-(4-aminophenyl)-2-(3-methylphenyl)acetonitrile
Also Known As: EINECS 280-698-3, (4-(Cyano(m-tolyl)methyl)phenyl)ammonium chloride, [4-[cyano(m-tolyl)methyl]phenyl]ammonium chloride, 2-(4-aminophenyl)-2-(3-methylphenyl)acetonitrile, alpha-(4-Aminophenyl)-3-methylbenzeneacetonitrile
| Molecular Formula | C15H14N2 |
|---|---|
| Molecular Weight | 222.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.11569 |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 83763-14-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(C#N)C2=CC=C(C=C2)N |
| InChIKey | KQMBCDRWFYLGBF-UHFFFAOYSA-N |
Product Overview
氯化(4-(氰基(间甲苯基)甲基)苯基)铵 (CAS 83763-14-8), with molecular formula C15H14N2 and molecular weight 222.12 g/mol. IUPAC: 2-(4-aminophenyl)-2-(3-methylphenyl)acetonitrile.
Chemical Property Profile of 氯化(4-(氰基(间甲苯基)甲基)苯基)铵
Property Insights of 氯化(4-(氰基(间甲苯基)甲基)苯基)铵
The XLogP value of 3.0 indicates that 氯化(4-(氰基(间甲苯基)甲基)苯基)铵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 氯化(4-(氰基(间甲苯基)甲基)苯基)铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯化(4-(氰基(间甲苯基)甲基)苯基)铵 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 氯化(4-(氰基(间甲苯基)甲基)苯基)铵?
The CAS number of 氯化(4-(氰基(间甲苯基)甲基)苯基)铵 is 83763-14-8.
What is the molecular formula of 氯化(4-(氰基(间甲苯基)甲基)苯基)铵?
The molecular formula of 氯化(4-(氰基(间甲苯基)甲基)苯基)铵 is C15H14N2.
What is the molecular weight of 氯化(4-(氰基(间甲苯基)甲基)苯基)铵?
The molecular weight of 氯化(4-(氰基(间甲苯基)甲基)苯基)铵 is 222.12 g/mol.
Where can I buy 氯化(4-(氰基(间甲苯基)甲基)苯基)铵?
You can request a quote for 氯化(4-(氰基(间甲苯基)甲基)苯基)铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化(4-(氰基(间甲苯基)甲基)苯基)铵?
Yes, KEHONG BIO provides custom synthesis services for 氯化(4-(氰基(间甲苯基)甲基)苯基)铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.