Allidochlor
TL;DR: Allidochlor (CAS 93-71-0) is a chemical compound with molecular formula C8H12ClNO and molecular weight 173.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N,N-bis(prop-2-enyl)acetamide
Also Known As: Allidochlor, Alidochlor, N,N-Diallyl-2-chloroacetamide, Alidochlore, Cdaat
| Molecular Formula | C8H12ClNO |
|---|---|
| Molecular Weight | 173.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 173.06075 |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
| Melting Point | 145 °C |
| Boiling Point | 73.9 °C at 0.3 mmHg |
| Density | 1.088 at 25.0 °C |
| Solubility | Slighty soluble (NTP, 1992) |
| Flash Point | 186 °C OC; 15 °C CC |
| Vapor Pressure | 0.0094 [mmHg] |
| Refractive Index | 1.4932 @ 25 °C |
Chemical Identifiers
| CAS Number | 93-71-0 |
|---|---|
| SMILES | C=CCN(CC=C)C(=O)CCl |
| InChIKey | MDBGGTQNNUOQRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allidochlor (CAS 93-71-0), with molecular formula C8H12ClNO and molecular weight 173.06 g/mol. IUPAC: 2-chloro-N,N-bis(prop-2-enyl)acetamide.
Chemical Property Profile of Allidochlor
Property Insights of Allidochlor
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allidochlor. With a topological polar surface area (TPSA) of 20.3 Ų, Allidochlor exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allidochlor 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 Allidochlor?
The CAS number of Allidochlor is 93-71-0.
What is the molecular formula of Allidochlor?
The molecular formula of Allidochlor is C8H12ClNO.
What is the molecular weight of Allidochlor?
The molecular weight of Allidochlor is 173.06 g/mol.
Where can I buy Allidochlor?
You can request a quote for Allidochlor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allidochlor?
Yes, KEHONG BIO provides custom synthesis services for Allidochlor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.