3,4-二氯苄胺
TL;DR: 3,4-二氯苄胺 (CAS 102-49-8) is a chemical compound with molecular formula C7H7Cl2N and molecular weight 175.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二氯苄胺
(3,4-dichlorophenyl)methanamine
Also Known As: 3,4-Dichlorobenzylamine, (3,4-Dichlorophenyl)methanamine, Benzenemethanamine, 3,4-dichloro-, Benzylamine der, Benzylamine, 3,4-dichloro-
| Molecular Formula | C7H7Cl2N |
|---|---|
| Molecular Weight | 175.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.99556 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 102-49-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1CN)Cl)Cl |
| InChIKey | IXHNFOOSLAWRBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二氯苄胺 (CAS 102-49-8), with molecular formula C7H7Cl2N and molecular weight 175.00 g/mol. IUPAC: (3,4-dichlorophenyl)methanamine.
Chemical Property Profile of 3,4-二氯苄胺
Property Insights of 3,4-二氯苄胺
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二氯苄胺. With a topological polar surface area (TPSA) of 26.0 Ų, 3,4-二氯苄胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二氯苄胺 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 3,4-二氯苄胺?
The CAS number of 3,4-二氯苄胺 is 102-49-8.
What is the molecular formula of 3,4-二氯苄胺?
The molecular formula of 3,4-二氯苄胺 is C7H7Cl2N.
What is the molecular weight of 3,4-二氯苄胺?
The molecular weight of 3,4-二氯苄胺 is 175.00 g/mol.
Where can I buy 3,4-二氯苄胺?
You can request a quote for 3,4-二氯苄胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二氯苄胺?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二氯苄胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.