N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine
TL;DR: N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine (CAS 32058-65-4) is a chemical compound with molecular formula C11H16Cl2N2 and molecular weight 246.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,4-N-bis(2-chloroethyl)-2-methylbenzene-1,4-diamine
Also Known As: Rom 203, N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine, 4-di-(2-Chloroethyl)amino-2-methylaniline, 4-13-00-00247 (Beilstein Handbook Reference), 4-N,4-N-bis(2-chloroethyl)-2-methylbenzene-1,4-diamine
| Molecular Formula | C11H16Cl2N2 |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.06906 |
| Heavy Atoms | 15 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 32058-65-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCCl)CCCl)N |
| InChIKey | NCVPWROAIIKSEJ-UHFFFAOYSA-N |
Product Overview
N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine (CAS 32058-65-4), with molecular formula C11H16Cl2N2 and molecular weight 246.07 g/mol. IUPAC: 4-N,4-N-bis(2-chloroethyl)-2-methylbenzene-1,4-diamine.
Chemical Property Profile of N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine
Property Insights of N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine. With a topological polar surface area (TPSA) of 29.3 Ų, N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine 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 N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine?
The CAS number of N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine is 32058-65-4.
What is the molecular formula of N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine?
The molecular formula of N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine is C11H16Cl2N2.
What is the molecular weight of N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine?
The molecular weight of N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine is 246.07 g/mol.
Where can I buy N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine?
You can request a quote for N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for N(1),N(1)-Bis(2-chloroethyl)-3-methyl-1,4-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.