Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride
TL;DR: Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride (CAS 77905-52-3) is a chemical compound with molecular formula C13H19Cl3N2O3 and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl)-[(4-ethoxy-3-nitrophenyl)methyl]azanium chloride
Also Known As: 4-Ethoxy-3-nitrobenzyl-bis(2-chloroethyl)amine hydrochloride, N,N-Bis(2-chloroethyl)-4-ethoxy-3-nitro-benzylamine hydrochloride, BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-4-ETHOXY-3-NITRO-, HYDROCHLORIDE, bis(2-chloroethyl)-[(4-ethoxy-3-nitrophenyl)methyl]azanium chloride, bis(2-chloroethyl)-[(4-ethoxy-3-nitrophenyl)methyl]azanium,chloride
| Molecular Formula | C13H19Cl3N2O3 |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | -1.14 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.0461 |
| Heavy Atoms | 21 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 77905-52-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C[NH+](CCCl)CCCl)[N+](=O)[O-].[Cl-] |
| InChIKey | CWAWACLVCCFRFP-UHFFFAOYSA-N |
Product Overview
Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride (CAS 77905-52-3), with molecular formula C13H19Cl3N2O3 and molecular weight 356.05 g/mol. IUPAC: bis(2-chloroethyl)-[(4-ethoxy-3-nitrophenyl)methyl]azanium chloride.
Chemical Property Profile of Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride
Property Insights of Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride
The XLogP value of -1.14 indicates that Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.5 Ų, Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride has 1 hydrogen bond donor(s) and 4 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 Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride?
The CAS number of Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride is 77905-52-3.
What is the molecular formula of Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride?
The molecular formula of Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride is C13H19Cl3N2O3.
What is the molecular weight of Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride?
The molecular weight of Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride is 356.05 g/mol.
Where can I buy Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride?
You can request a quote for Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N,N-bis(2-chloroethyl)-4-ethoxy-3-nitro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.