1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride
TL;DR: 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride (CAS 69780-75-2) is a chemical compound with molecular formula C17H20Cl2N4 and molecular weight 350.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-yl)ethyl-benzyl-(2-chloroethyl)azanium chloride
Also Known As: 1-(2-(N-Benzyl-N-(2-chloroethyl)amino)ethyl)-1H-benzotriazole hydrochloride, 1H-BENZOTRIAZOLE, 1-(2-(N-BENZYL-N-(2-CHLOROETHYL)AMINO)ETHYL)-, HYDROCHLORIDE, 2-(benzotriazol-1-yl)ethyl-benzyl-(2-chloroethyl)azanium chloride, 2-(Benzotriazol-1-yl)ethyl-(2-chloroethyl)-(phenylmethyl)azaniumchloride, 1H-Benzotriazole-1-ethanamine, N-(2-chloroethyl)-N-(phenylmethyl)-, monohydrochloride
| Molecular Formula | C17H20Cl2N4 |
|---|---|
| Molecular Weight | 350.11 g/mol |
| LogP | -1.24 |
| Topological Polar Surface Area | 35.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.1065 |
| Heavy Atoms | 23 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 69780-75-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[NH+](CCN2C3=CC=CC=C3N=N2)CCCl.[Cl-] |
| InChIKey | BOUDAARRYPWUMD-UHFFFAOYSA-N |
Product Overview
1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride (CAS 69780-75-2), with molecular formula C17H20Cl2N4 and molecular weight 350.11 g/mol. IUPAC: 2-(benzotriazol-1-yl)ethyl-benzyl-(2-chloroethyl)azanium chloride.
Chemical Property Profile of 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride
Property Insights of 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride
The XLogP value of -1.24 indicates that 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.2 Ų, 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride has 1 hydrogen bond donor(s) and 3 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 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride?
The CAS number of 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride is 69780-75-2.
What is the molecular formula of 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride?
The molecular formula of 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride is C17H20Cl2N4.
What is the molecular weight of 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride?
The molecular weight of 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride is 350.11 g/mol.
Where can I buy 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride?
You can request a quote for 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.