Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride
TL;DR: Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride (CAS 99858-23-8) is a chemical compound with molecular formula C11H16Cl3NO and molecular weight 283.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-bis(2-chloroethyl)-hydroxyazanium chloride
Also Known As: N,N-Bis(2-chloroethyl)benzylamine N-oxide hydrochloride, BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-, N-OXIDE, HYDROCHLORIDE, Benzylbis(2-chloroethyl)hydroxyammonium chloride, benzyl-bis(2-chloroethyl)-hydroxyazanium chloride, Benzylbis(2-chloroethyl)(hydroxy)ammonium chloride
| Molecular Formula | C11H16Cl3NO |
|---|---|
| Molecular Weight | 283.03 g/mol |
| LogP | -0.13 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.02975 |
| Heavy Atoms | 16 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 99858-23-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+](CCCl)(CCCl)O.[Cl-] |
| InChIKey | GCYSDIMSFLLISS-UHFFFAOYSA-M |
Product Overview
Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride (CAS 99858-23-8), with molecular formula C11H16Cl3NO and molecular weight 283.03 g/mol. IUPAC: benzyl-bis(2-chloroethyl)-hydroxyazanium chloride.
Chemical Property Profile of Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride
Property Insights of Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride
The XLogP value of -0.13 indicates that Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.2 Ų, Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride 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 Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride?
The CAS number of Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride is 99858-23-8.
What is the molecular formula of Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride?
The molecular formula of Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride is C11H16Cl3NO.
What is the molecular weight of Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride?
The molecular weight of Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride is 283.03 g/mol.
Where can I buy Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride?
You can request a quote for Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, 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)-, N-oxide, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.