2,4-Dichloro-n-(prop-2-en-1-yl)aniline
TL;DR: 2,4-Dichloro-n-(prop-2-en-1-yl)aniline (CAS 7536-54-1) is a chemical compound with molecular formula C9H9Cl2N and molecular weight 201.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-N-prop-2-enylaniline
Also Known As: N-allyl-2,4-dichloroaniline, 2,4-dichloro-n-(prop-2-en-1-yl)aniline, 2,4-dichloro-N-prop-2-enylaniline, Benzenamine,2,4-dichloro-n-2-propen-1-yl-,
| Molecular Formula | C9H9Cl2N |
|---|---|
| Molecular Weight | 201.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.0112 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 7536-54-1 |
|---|---|
| SMILES | C=CCNC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | ZMTQVXQXHBPBSC-UHFFFAOYSA-N |
Product Overview
2,4-Dichloro-n-(prop-2-en-1-yl)aniline (CAS 7536-54-1), with molecular formula C9H9Cl2N and molecular weight 201.01 g/mol. IUPAC: 2,4-dichloro-N-prop-2-enylaniline.
Chemical Property Profile of 2,4-Dichloro-n-(prop-2-en-1-yl)aniline
Property Insights of 2,4-Dichloro-n-(prop-2-en-1-yl)aniline
The XLogP value of 3.8 indicates that 2,4-Dichloro-n-(prop-2-en-1-yl)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, 2,4-Dichloro-n-(prop-2-en-1-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichloro-n-(prop-2-en-1-yl)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 2,4-Dichloro-n-(prop-2-en-1-yl)aniline?
The CAS number of 2,4-Dichloro-n-(prop-2-en-1-yl)aniline is 7536-54-1.
What is the molecular formula of 2,4-Dichloro-n-(prop-2-en-1-yl)aniline?
The molecular formula of 2,4-Dichloro-n-(prop-2-en-1-yl)aniline is C9H9Cl2N.
What is the molecular weight of 2,4-Dichloro-n-(prop-2-en-1-yl)aniline?
The molecular weight of 2,4-Dichloro-n-(prop-2-en-1-yl)aniline is 201.01 g/mol.
Where can I buy 2,4-Dichloro-n-(prop-2-en-1-yl)aniline?
You can request a quote for 2,4-Dichloro-n-(prop-2-en-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-n-(prop-2-en-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-n-(prop-2-en-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.