N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine
TL;DR: N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine (CAS 61931-82-6) is a chemical compound with molecular formula C18H24N2 and molecular weight 268.19394 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-N-(4-methylpentan-2-yl)-4-N-phenylbenzene-1,4-diamine
Also Known As: 6PPD, N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine, N-(1,3-Dimethylbutyl)-N-phenyl-p-phenylenediamine, Tox21_301410, 1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N-phenyl-
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H24N2 |
| Molecular Weight | 268.19394 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.19394 Da |
| Heavy Atoms | 20 |
| Complexity | 263.0 |
| SMILES | CC(C)CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)N |
| InChIKey | KZTCAXCBXSIQSS-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine
Property Insights of N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine
The XLogP value of 5.0 indicates that N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.3 Ų, N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine 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
What is the CAS number of N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine?
The CAS number of N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine is 61931-82-6.
What is the molecular formula of N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine?
The molecular formula of N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine is C18H24N2.
What is the molecular weight of N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine?
The molecular weight of N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine is 268.19394 g/mol.
Where can I buy N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine?
You can request a quote for N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine?
Yes, CoreyChem provides custom synthesis services for N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.