4-chloro-N,N-bis(prop-2-ynyl)aniline
TL;DR: 4-chloro-N,N-bis(prop-2-ynyl)aniline (CAS 22774-35-2) is a chemical compound with molecular formula C12H10ClN and molecular weight 203.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N,N-bis(prop-2-ynyl)aniline
Also Known As: N,N-Dipropargyl-4-chloroaniline, 4-chloro-N,N-diprop-2-ynyl-aniline, 4-chloro-N,N-di(prop-2-ynyl)benzenamine, 4-chloro-N,N-bis(prop-2-ynyl)aniline, 4-chloro-N,N-bis(prop-2-yn-1-yl)aniline
| Molecular Formula | C12H10ClN |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | 2.4128 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.05017 |
| Heavy Atoms | 14 |
| Complexity | 350.79358 |
Chemical Identifiers
| CAS Number | 22774-35-2 |
|---|---|
| SMILES | C#CCN(CC#C)C1=CC=C(C=C1)Cl |
Product Overview
4-chloro-N,N-bis(prop-2-ynyl)aniline (CAS 22774-35-2), with molecular formula C12H10ClN and molecular weight 203.05 g/mol. IUPAC: 4-chloro-N,N-bis(prop-2-ynyl)aniline.
Chemical Property Profile of 4-chloro-N,N-bis(prop-2-ynyl)aniline
Property Insights of 4-chloro-N,N-bis(prop-2-ynyl)aniline
The XLogP value of 2.4128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N,N-bis(prop-2-ynyl)aniline. With a topological polar surface area (TPSA) of 3.24 Ų, 4-chloro-N,N-bis(prop-2-ynyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N,N-bis(prop-2-ynyl)aniline has 0 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,N-bis(prop-2-ynyl)aniline?
The CAS number of 4-chloro-N,N-bis(prop-2-ynyl)aniline is 22774-35-2.
What is the molecular formula of 4-chloro-N,N-bis(prop-2-ynyl)aniline?
The molecular formula of 4-chloro-N,N-bis(prop-2-ynyl)aniline is C12H10ClN.
What is the molecular weight of 4-chloro-N,N-bis(prop-2-ynyl)aniline?
The molecular weight of 4-chloro-N,N-bis(prop-2-ynyl)aniline is 203.05 g/mol.
Where can I buy 4-chloro-N,N-bis(prop-2-ynyl)aniline?
You can request a quote for 4-chloro-N,N-bis(prop-2-ynyl)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,N-bis(prop-2-ynyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N,N-bis(prop-2-ynyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.