Aniline, N-tert-butyl-4-chloro-
TL;DR: Aniline, N-tert-butyl-4-chloro- (CAS 48131-06-2) is a chemical compound with molecular formula C10H14ClN and molecular weight 183.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-chloroaniline
Also Known As: N-tert-butyl-4-chloroaniline, N-(tert-Butyl)-4-chloroaniline, Aniline, N-tert-butyl-4-chloro-
| Molecular Formula | C10H14ClN |
|---|---|
| Molecular Weight | 183.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.08148 |
| Heavy Atoms | 12 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 48131-06-2 |
|---|---|
| SMILES | CC(C)(C)NC1=CC=C(C=C1)Cl |
| InChIKey | BWQVJYBZWVXQPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aniline, N-tert-butyl-4-chloro- (CAS 48131-06-2), with molecular formula C10H14ClN and molecular weight 183.08 g/mol. IUPAC: N-tert-butyl-4-chloroaniline.
Chemical Property Profile of Aniline, N-tert-butyl-4-chloro-
Property Insights of Aniline, N-tert-butyl-4-chloro-
The XLogP value of 3.5 indicates that Aniline, N-tert-butyl-4-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, Aniline, N-tert-butyl-4-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline, N-tert-butyl-4-chloro- has 1 hydrogen bond donor(s) and 1 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 Aniline, N-tert-butyl-4-chloro-?
The CAS number of Aniline, N-tert-butyl-4-chloro- is 48131-06-2.
What is the molecular formula of Aniline, N-tert-butyl-4-chloro-?
The molecular formula of Aniline, N-tert-butyl-4-chloro- is C10H14ClN.
What is the molecular weight of Aniline, N-tert-butyl-4-chloro-?
The molecular weight of Aniline, N-tert-butyl-4-chloro- is 183.08 g/mol.
Where can I buy Aniline, N-tert-butyl-4-chloro-?
You can request a quote for Aniline, N-tert-butyl-4-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline, N-tert-butyl-4-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Aniline, N-tert-butyl-4-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.