3,5-二氯-N-甲基苄胺
TL;DR: 3,5-二氯-N-甲基苄胺 (CAS 90390-25-3) is a chemical compound with molecular formula C8H9Cl2N and molecular weight 189.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二氯-N-甲基苄胺
1-(3,5-dichlorophenyl)-N-methylmethanamine
Also Known As: N-Methyl-3,5-dichlorobenzylamine, Benzylamine der, 1-(3,5-dichlorophenyl)-N-methylmethanamine, [(3,5-dichlorophenyl)methyl](methyl)amine, 3,5-DICHLORO-N-METHYLBENZYLAMINE
| Molecular Formula | C8H9Cl2N |
|---|---|
| Molecular Weight | 189.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.0112 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 90390-25-3 |
|---|---|
| SMILES | CNCC1=CC(=CC(=C1)Cl)Cl |
| InChIKey | SSTJQZMMDIIKBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二氯-N-甲基苄胺 (CAS 90390-25-3), with molecular formula C8H9Cl2N and molecular weight 189.01 g/mol. IUPAC: 1-(3,5-dichlorophenyl)-N-methylmethanamine.
Chemical Property Profile of 3,5-二氯-N-甲基苄胺
Property Insights of 3,5-二氯-N-甲基苄胺
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二氯-N-甲基苄胺. With a topological polar surface area (TPSA) of 12.0 Ų, 3,5-二氯-N-甲基苄胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二氯-N-甲基苄胺 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 3,5-二氯-N-甲基苄胺?
The CAS number of 3,5-二氯-N-甲基苄胺 is 90390-25-3.
What is the molecular formula of 3,5-二氯-N-甲基苄胺?
The molecular formula of 3,5-二氯-N-甲基苄胺 is C8H9Cl2N.
What is the molecular weight of 3,5-二氯-N-甲基苄胺?
The molecular weight of 3,5-二氯-N-甲基苄胺 is 189.01 g/mol.
Where can I buy 3,5-二氯-N-甲基苄胺?
You can request a quote for 3,5-二氯-N-甲基苄胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二氯-N-甲基苄胺?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二氯-N-甲基苄胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.