3-氯苯胺盐酸盐(1:1)
TL;DR: 3-氯苯胺盐酸盐(1:1) (CAS 141-85-5) is a chemical compound with molecular formula C6H7Cl2N and molecular weight 163.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯苯胺盐酸盐(1:1)
3-chloroaniline;hydrochloride
Also Known As: 3-Chloroaniline hydrochloride, Devol Orange C, Orange Salt NGC, Devol Orange GC, Ansibase Orange GC
| Molecular Formula | C6H7Cl2N |
|---|---|
| Molecular Weight | 163.00 g/mol |
| LogP | 2.34 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.99556 |
| Heavy Atoms | 9 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 141-85-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N.Cl |
| InChIKey | NMGHWHCTRGZZOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯苯胺盐酸盐(1:1) (CAS 141-85-5), with molecular formula C6H7Cl2N and molecular weight 163.00 g/mol. IUPAC: 3-chloroaniline;hydrochloride.
Chemical Property Profile of 3-氯苯胺盐酸盐(1:1)
Property Insights of 3-氯苯胺盐酸盐(1:1)
The XLogP value of 2.34 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯苯胺盐酸盐(1:1). With a topological polar surface area (TPSA) of 26.0 Ų, 3-氯苯胺盐酸盐(1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯苯胺盐酸盐(1:1) has 2 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 3-氯苯胺盐酸盐(1:1)?
The CAS number of 3-氯苯胺盐酸盐(1:1) is 141-85-5.
What is the molecular formula of 3-氯苯胺盐酸盐(1:1)?
The molecular formula of 3-氯苯胺盐酸盐(1:1) is C6H7Cl2N.
What is the molecular weight of 3-氯苯胺盐酸盐(1:1)?
The molecular weight of 3-氯苯胺盐酸盐(1:1) is 163.00 g/mol.
Where can I buy 3-氯苯胺盐酸盐(1:1)?
You can request a quote for 3-氯苯胺盐酸盐(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯苯胺盐酸盐(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3-氯苯胺盐酸盐(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.