Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI)
TL;DR: Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI) (CAS 40372-95-0) is a chemical compound with molecular formula C11H14Cl2IN and molecular weight 356.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-[(3-iodophenyl)methyl]ethanamine
Also Known As: m-Iodo-dcba, starbld0029635, N,N-Bis -m-iodobenzylamine, N,N-Bis(2-chloroethyl)-m-iodobenzylamine, m-Iodo-di-(2-chloroethyl)-benzylamine
| Molecular Formula | C11H14Cl2IN |
|---|---|
| Molecular Weight | 356.95 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.9548 |
| Heavy Atoms | 15 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 40372-95-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)CN(CCCl)CCCl |
| InChIKey | HLZFXLNNDDPEGM-UHFFFAOYSA-N |
Product Overview
Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI) (CAS 40372-95-0), with molecular formula C11H14Cl2IN and molecular weight 356.95 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[(3-iodophenyl)methyl]ethanamine.
Chemical Property Profile of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI)
Property Insights of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI)
The XLogP value of 3.6 indicates that Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI) 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
Frequently Asked Questions
What is the CAS number of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI)?
The CAS number of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI) is 40372-95-0.
What is the molecular formula of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI)?
The molecular formula of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI) is C11H14Cl2IN.
What is the molecular weight of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI)?
The molecular weight of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI) is 356.95 g/mol.
Where can I buy Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI)?
You can request a quote for Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N,N-bis(2-chloroethyl)-3-iodo-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.