4-chloro-N-(3-methylbutyl)aniline
TL;DR: 4-chloro-N-(3-methylbutyl)aniline (CAS 91428-35-2) is a chemical compound with molecular formula C11H16ClN and molecular weight 197.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(3-methylbutyl)aniline
Also Known As: 4-chloro-N-(3-methylbutyl)aniline, N-(4-chlorophenyl)-N-(3-methylbutyl)amine
| Molecular Formula | C11H16ClN |
|---|---|
| Molecular Weight | 197.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.09712 |
| Heavy Atoms | 13 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 91428-35-2 |
|---|---|
| SMILES | CC(C)CCNC1=CC=C(C=C1)Cl |
| InChIKey | MUCXNPKHUHBTFO-UHFFFAOYSA-N |
Product Overview
4-chloro-N-(3-methylbutyl)aniline (CAS 91428-35-2), with molecular formula C11H16ClN and molecular weight 197.10 g/mol. IUPAC: 4-chloro-N-(3-methylbutyl)aniline.
Chemical Property Profile of 4-chloro-N-(3-methylbutyl)aniline
Property Insights of 4-chloro-N-(3-methylbutyl)aniline
The XLogP value of 4.2 indicates that 4-chloro-N-(3-methylbutyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 4-chloro-N-(3-methylbutyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(3-methylbutyl)aniline 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 4-chloro-N-(3-methylbutyl)aniline?
The CAS number of 4-chloro-N-(3-methylbutyl)aniline is 91428-35-2.
What is the molecular formula of 4-chloro-N-(3-methylbutyl)aniline?
The molecular formula of 4-chloro-N-(3-methylbutyl)aniline is C11H16ClN.
What is the molecular weight of 4-chloro-N-(3-methylbutyl)aniline?
The molecular weight of 4-chloro-N-(3-methylbutyl)aniline is 197.10 g/mol.
Where can I buy 4-chloro-N-(3-methylbutyl)aniline?
You can request a quote for 4-chloro-N-(3-methylbutyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(3-methylbutyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(3-methylbutyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.