N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1)
TL;DR: N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1) (CAS 101858-28-0) is a chemical compound with molecular formula C22H46Cl3N and molecular weight 429.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl)-octadecylazanium chloride
Also Known As: N,N-Bis(2-chloroethyl)-1-octadecylamine hydrochloride, bis(2-chloroethyl)-octadecylazanium chloride, 1-OCTADECYLAMINE, N,N-BIS(2-CHLOROETHYL)-, HYDROCHLORIDE, n,n-bis(2-chloroethyl)octadecan-1-aminium chloride, N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C22H46Cl3N |
|---|---|
| Molecular Weight | 429.27 g/mol |
| LogP | 3.61 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 21 |
| Exact Mass | 429.2696 |
| Heavy Atoms | 26 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 101858-28-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC[NH+](CCCl)CCCl.[Cl-] |
| InChIKey | DZVSLOBVDXQRIP-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1) (CAS 101858-28-0), with molecular formula C22H46Cl3N and molecular weight 429.27 g/mol. IUPAC: bis(2-chloroethyl)-octadecylazanium chloride.
Chemical Property Profile of N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1)
Property Insights of N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1)
The XLogP value of 3.61 indicates that N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.4 Ų, N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1) has 1 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 N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1)?
The CAS number of N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1) is 101858-28-0.
What is the molecular formula of N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1)?
The molecular formula of N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1) is C22H46Cl3N.
What is the molecular weight of N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1)?
The molecular weight of N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1) is 429.27 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1)?
You can request a quote for N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)octadecan-1-amine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.