3,3'-Dichloro-4,4'-Diaminodiphenylmethane
TL;DR: 3,3'-Dichloro-4,4'-Diaminodiphenylmethane (CAS 101-14-4) is a chemical compound with molecular formula C13H12Cl2N2 and molecular weight 266.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline
Also Known As: Quodorole, Bisamine, Cyanaset, MOCA, Dacpm
| Molecular Formula | C13H12Cl2N2 |
|---|---|
| Molecular Weight | 266.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.03775 |
| Heavy Atoms | 17 |
| Complexity | 226.0 |
| Melting Point | 210 to 107.2 °C |
| Density | 1.44 |
| Solubility | less than 1 mg/mL at 77 °F (NTP, 1992) |
| Flash Point | 113 °C c.c. |
| Vapor Pressure | 5e-05 mmHg at 120.0 °C ; 0.0013 mmHg at 60.0 °C |
Chemical Identifiers
| CAS Number | 101-14-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N |
| InChIKey | IBOFVQJTBBUKMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Dichloro-4,4'-Diaminodiphenylmethane (CAS 101-14-4), with molecular formula C13H12Cl2N2 and molecular weight 266.04 g/mol. IUPAC: 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline.
Chemical Property Profile of 3,3'-Dichloro-4,4'-Diaminodiphenylmethane
Property Insights of 3,3'-Dichloro-4,4'-Diaminodiphenylmethane
The XLogP value of 3.8 indicates that 3,3'-Dichloro-4,4'-Diaminodiphenylmethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 3,3'-Dichloro-4,4'-Diaminodiphenylmethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Dichloro-4,4'-Diaminodiphenylmethane has 2 hydrogen bond donor(s) and 2 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 3,3'-Dichloro-4,4'-Diaminodiphenylmethane?
The CAS number of 3,3'-Dichloro-4,4'-Diaminodiphenylmethane is 101-14-4.
What is the molecular formula of 3,3'-Dichloro-4,4'-Diaminodiphenylmethane?
The molecular formula of 3,3'-Dichloro-4,4'-Diaminodiphenylmethane is C13H12Cl2N2.
What is the molecular weight of 3,3'-Dichloro-4,4'-Diaminodiphenylmethane?
The molecular weight of 3,3'-Dichloro-4,4'-Diaminodiphenylmethane is 266.04 g/mol.
Where can I buy 3,3'-Dichloro-4,4'-Diaminodiphenylmethane?
You can request a quote for 3,3'-Dichloro-4,4'-Diaminodiphenylmethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dichloro-4,4'-Diaminodiphenylmethane?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dichloro-4,4'-Diaminodiphenylmethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.