1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride
TL;DR: 1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride (CAS 69766-31-0) is a chemical compound with molecular formula C12H18Cl2N4 and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-yl)ethyl-(2-chloroethyl)-ethylazanium chloride
Also Known As: Triethylamine, 2-(1H-benzotriazol-1-yl)-2'-chloro-, hydrochloride, 1-(2-(N-(2-Chloroethyl)-N-ethylamino)ethyl)-1H-benzotriazole hydrochloride, 1H-BENZOTRIAZOLE, 1-(2-(N-(2-CHLOROETHYL)-N-ETHYLAMINO)ETHYL)-, HYDROCHLORIDE, 2-(benzotriazol-1-yl)ethyl-(2-chloroethyl)-ethylazanium chloride, RefChem:1057863
| Molecular Formula | C12H18Cl2N4 |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | -2.42 |
| Topological Polar Surface Area | 35.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.09085 |
| Heavy Atoms | 18 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 69766-31-0 |
|---|---|
| SMILES | CC[NH+](CCN1C2=CC=CC=C2N=N1)CCCl.[Cl-] |
| InChIKey | CKXKLAMYUCKSQG-UHFFFAOYSA-N |
Product Overview
1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride (CAS 69766-31-0), with molecular formula C12H18Cl2N4 and molecular weight 288.09 g/mol. IUPAC: 2-(benzotriazol-1-yl)ethyl-(2-chloroethyl)-ethylazanium chloride.
Chemical Property Profile of 1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride
Property Insights of 1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride
The XLogP value of -2.42 indicates that 1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)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-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)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-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride?
The CAS number of 1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride is 69766-31-0.
What is the molecular formula of 1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride?
The molecular formula of 1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride is C12H18Cl2N4.
What is the molecular weight of 1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride?
The molecular weight of 1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride is 288.09 g/mol.
Where can I buy 1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride?
You can request a quote for 1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)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-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazole, 1-(2-(N-(2-chloroethyl)-N-ethylamino)ethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.