4,4'-Methylenedianiline dihydrochloride
TL;DR: 4,4'-Methylenedianiline dihydrochloride (CAS 13552-44-8) is a chemical compound with molecular formula C13H16Cl2N2 and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-aminophenyl)methyl]aniline;dihydrochloride
Also Known As: 4,4'-Methylenedianiline dihydrochloride, Methylenedianiline HCl, 4,4'-Methylenedianiline.2HCl, p,p'-Methylenedianiline dihydrochloride, NCI-C54604
| Molecular Formula | C13H16Cl2N2 |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | 3.29 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.06906 |
| Heavy Atoms | 17 |
| Complexity | 157.0 |
| Melting Point | 531 to 277.8 °C (decomposes) |
| Solubility | greater than or equal to 100 mg/mL at 67.1 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 13552-44-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)N)N.Cl.Cl |
| InChIKey | MXNNTNFLRICRPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Methylenedianiline dihydrochloride (CAS 13552-44-8), with molecular formula C13H16Cl2N2 and molecular weight 270.07 g/mol. IUPAC: 4-[(4-aminophenyl)methyl]aniline;dihydrochloride.
Chemical Property Profile of 4,4'-Methylenedianiline dihydrochloride
Property Insights of 4,4'-Methylenedianiline dihydrochloride
The XLogP value of 3.29 indicates that 4,4'-Methylenedianiline dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 4,4'-Methylenedianiline dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Methylenedianiline dihydrochloride has 4 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 4,4'-Methylenedianiline dihydrochloride?
The CAS number of 4,4'-Methylenedianiline dihydrochloride is 13552-44-8.
What is the molecular formula of 4,4'-Methylenedianiline dihydrochloride?
The molecular formula of 4,4'-Methylenedianiline dihydrochloride is C13H16Cl2N2.
What is the molecular weight of 4,4'-Methylenedianiline dihydrochloride?
The molecular weight of 4,4'-Methylenedianiline dihydrochloride is 270.07 g/mol.
Where can I buy 4,4'-Methylenedianiline dihydrochloride?
You can request a quote for 4,4'-Methylenedianiline dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Methylenedianiline dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Methylenedianiline dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.