Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)-
TL;DR: Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)- (CAS 68921-45-9) is a chemical compound with molecular formula C20H27N and molecular weight 281.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-4-(2,4,4-trimethylpentan-2-yl)aniline
Also Known As: n-phenyl-4-(2,4,4-trimethylpentan-2-yl)aniline, Alkylated diphenylamines, tert-octyldiphenylamine, 4-tert-octyldiphenylamine, 4-tert-Octylphenylphenylamine
| Molecular Formula | C20H27N |
|---|---|
| Molecular Weight | 281.21 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.21436 |
| Heavy Atoms | 21 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 68921-45-9 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)NC2=CC=CC=C2 |
| InChIKey | OSFOTMWFXQGWKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)- (CAS 68921-45-9), with molecular formula C20H27N and molecular weight 281.21 g/mol. IUPAC: N-phenyl-4-(2,4,4-trimethylpentan-2-yl)aniline.
Chemical Property Profile of Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)-
Property Insights of Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)-
The XLogP value of 6.9 indicates that Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)-?
The CAS number of Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)- is 68921-45-9.
What is the molecular formula of Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)-?
The molecular formula of Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)- is C20H27N.
What is the molecular weight of Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)-?
The molecular weight of Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)- is 281.21 g/mol.
Where can I buy Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)-?
You can request a quote for Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, N-phenyl-ar-(1,1,3,3-tetramethylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.