Aniline Mustard
TL;DR: Aniline Mustard (CAS 553-27-5) is a chemical compound with molecular formula C10H13Cl2N and molecular weight 217.04251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
苯胺芥
N,N-bis(2-chloroethyl)aniline
Also Known As: N,N-Bis(2-chloroethyl)aniline, Aniline mustard, Lymphochin, Lymphoquin, Lymphocin
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13Cl2N |
| Molecular Weight | 217.04251 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.04251 Da |
| Heavy Atoms | 13 |
| Complexity | 118.0 |
| SMILES | C1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | ROSJKFFLIXTTAW-UHFFFAOYSA-N |
Product Description
Applications: Aniline Mustard is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Aniline Mustard (CAS 553-27-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Aniline Mustard (CAS 553-27-5) has the molecular formula C10H13Cl2N and a molecular weight of 217.04 g/mol. It is also known as N,N-Bis(2-chloroethyl)aniline and Aniline mustard.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Aniline Mustard
Property Insights of Aniline Mustard
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aniline Mustard. With a topological polar surface area (TPSA) of 3.2 Ų, Aniline Mustard exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline Mustard has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Aniline Mustard?
The CAS number of Aniline Mustard is 553-27-5.
What is the molecular formula of Aniline Mustard?
The molecular formula of Aniline Mustard is C10H13Cl2N.
What is the molecular weight of Aniline Mustard?
The molecular weight of Aniline Mustard is 217.04251 g/mol.
What are the applications of Aniline Mustard?
Aniline Mustard is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Aniline Mustard (CAS 553-27-5) with...
Where can I buy Aniline Mustard?
You can request a quote for Aniline Mustard directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aniline Mustard?
Yes, CoreyChem provides custom synthesis services for Aniline Mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.