N1,N1-双(2-氯乙基)-1,4-苯二胺
TL;DR: N1,N1-双(2-氯乙基)-1,4-苯二胺 (CAS 2067-58-5) is a chemical compound with molecular formula C10H14Cl2N2 and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N1,N1-双(2-氯乙基)-1,4-苯二胺
4-N,4-N-bis(2-chloroethyl)benzene-1,4-diamine
Also Known As: Phenylenediamine mustard, Lymphochin, phenylenediaminemustard, N,N-Bis(2-chloroethyl)-p-phenylenediamine, N-(p-Amino-phenyl)-nitrogen mustard
| Molecular Formula | C10H14Cl2N2 |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.0534 |
| Heavy Atoms | 14 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 2067-58-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N)N(CCCl)CCCl |
| InChIKey | HWAVIYAFGOQVNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1,N1-双(2-氯乙基)-1,4-苯二胺 (CAS 2067-58-5), with molecular formula C10H14Cl2N2 and molecular weight 232.05 g/mol. IUPAC: 4-N,4-N-bis(2-chloroethyl)benzene-1,4-diamine.
Chemical Property Profile of N1,N1-双(2-氯乙基)-1,4-苯二胺
Property Insights of N1,N1-双(2-氯乙基)-1,4-苯二胺
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1,N1-双(2-氯乙基)-1,4-苯二胺. With a topological polar surface area (TPSA) of 29.3 Ų, N1,N1-双(2-氯乙基)-1,4-苯二胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N1,N1-双(2-氯乙基)-1,4-苯二胺 has 1 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 N1,N1-双(2-氯乙基)-1,4-苯二胺?
The CAS number of N1,N1-双(2-氯乙基)-1,4-苯二胺 is 2067-58-5.
What is the molecular formula of N1,N1-双(2-氯乙基)-1,4-苯二胺?
The molecular formula of N1,N1-双(2-氯乙基)-1,4-苯二胺 is C10H14Cl2N2.
What is the molecular weight of N1,N1-双(2-氯乙基)-1,4-苯二胺?
The molecular weight of N1,N1-双(2-氯乙基)-1,4-苯二胺 is 232.05 g/mol.
Where can I buy N1,N1-双(2-氯乙基)-1,4-苯二胺?
You can request a quote for N1,N1-双(2-氯乙基)-1,4-苯二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1,N1-双(2-氯乙基)-1,4-苯二胺?
Yes, KEHONG BIO provides custom synthesis services for N1,N1-双(2-氯乙基)-1,4-苯二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.