苯胺盐酸盐
TL;DR: 苯胺盐酸盐 (CAS 142-04-1) is a chemical compound with molecular formula C6H8ClN and molecular weight 129.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯胺盐酸盐
aniline;hydrochloride
Also Known As: ANILINE HYDROCHLORIDE, Aniline chloride, Anilinium chloride, Chlorid anilinu, Aniline.HCl
| Molecular Formula | C6H8ClN |
|---|---|
| Molecular Weight | 129.03 g/mol |
| LogP | 1.69 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.03453 |
| Heavy Atoms | 8 |
| Complexity | 46.0 |
| Melting Point | 197.8 °C |
| Boiling Point | 245.0 °C at 760 mmHg |
| Density | 1.2215 |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | 193.3 °C |
Chemical Identifiers
| CAS Number | 142-04-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N.Cl |
| InChIKey | MMCPOSDMTGQNKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯胺盐酸盐 (CAS 142-04-1), with molecular formula C6H8ClN and molecular weight 129.03 g/mol. IUPAC: aniline;hydrochloride.
Chemical Property Profile of 苯胺盐酸盐
Property Insights of 苯胺盐酸盐
The XLogP value of 1.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯胺盐酸盐. With a topological polar surface area (TPSA) of 26.0 Ų, 苯胺盐酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯胺盐酸盐 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 苯胺盐酸盐?
The CAS number of 苯胺盐酸盐 is 142-04-1.
What is the molecular formula of 苯胺盐酸盐?
The molecular formula of 苯胺盐酸盐 is C6H8ClN.
What is the molecular weight of 苯胺盐酸盐?
The molecular weight of 苯胺盐酸盐 is 129.03 g/mol.
Where can I buy 苯胺盐酸盐?
You can request a quote for 苯胺盐酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯胺盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for 苯胺盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.