N-(2-chloroprop-2-enyl)aniline
TL;DR: N-(2-chloroprop-2-enyl)aniline (CAS 18753-73-6) is a chemical compound with molecular formula C9H10ClN and molecular weight 167.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroprop-2-enyl)aniline
Also Known As: N-(2-chloroprop-2-enyl)aniline, n-(2-chloroprop-2-en-1-yl)aniline, N-(2-chloroallyl)aniline, N-(2-chloro-allyl)-aniline, Aniline, N-beta-chloroallyl-
| Molecular Formula | C9H10ClN |
|---|---|
| Molecular Weight | 167.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.05017 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 18753-73-6 |
|---|---|
| SMILES | C=C(CNC1=CC=CC=C1)Cl |
| InChIKey | BIENNPBMRHEDOY-UHFFFAOYSA-N |
Product Overview
N-(2-chloroprop-2-enyl)aniline (CAS 18753-73-6), with molecular formula C9H10ClN and molecular weight 167.05 g/mol. IUPAC: N-(2-chloroprop-2-enyl)aniline.
Chemical Property Profile of N-(2-chloroprop-2-enyl)aniline
Property Insights of N-(2-chloroprop-2-enyl)aniline
The XLogP value of 3.0 indicates that N-(2-chloroprop-2-enyl)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, N-(2-chloroprop-2-enyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chloroprop-2-enyl)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 N-(2-chloroprop-2-enyl)aniline?
The CAS number of N-(2-chloroprop-2-enyl)aniline is 18753-73-6.
What is the molecular formula of N-(2-chloroprop-2-enyl)aniline?
The molecular formula of N-(2-chloroprop-2-enyl)aniline is C9H10ClN.
What is the molecular weight of N-(2-chloroprop-2-enyl)aniline?
The molecular weight of N-(2-chloroprop-2-enyl)aniline is 167.05 g/mol.
Where can I buy N-(2-chloroprop-2-enyl)aniline?
You can request a quote for N-(2-chloroprop-2-enyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloroprop-2-enyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloroprop-2-enyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.