1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride
TL;DR: 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride (CAS 33812-54-3) is a chemical compound with molecular formula C16H27ClN2O2 and molecular weight 314.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)ethylamino]propan-2-yl benzoate;hydrochloride
Also Known As: 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride, 2-Propanol, 3-((2-(diethylamino)ethyl)amino)-, benzoate (ester), monohydrochloride, 1-(2-diethylaminoethylamino)propan-2-yl benzoate hydrochloride, 1-{[2-(diethylamino)ethyl]amino}propan-2-yl benzoate hydrochloride(1:1), 1-{[2-(Diethylamino)ethyl]amino}propan-2-yl benzoate--hydrogen chloride (1/1)
| Molecular Formula | C16H27ClN2O2 |
|---|---|
| Molecular Weight | 314.18 g/mol |
| LogP | 2.5851 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 314.17612 |
| Heavy Atoms | 21 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 33812-54-3 |
|---|---|
| SMILES | CCN(CC)CCNCC(C)OC(=O)C1=CC=CC=C1.Cl |
| InChIKey | GPAWHCQOPXLGDS-UHFFFAOYSA-N |
Product Overview
1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride (CAS 33812-54-3), with molecular formula C16H27ClN2O2 and molecular weight 314.18 g/mol. IUPAC: 1-[2-(diethylamino)ethylamino]propan-2-yl benzoate;hydrochloride.
Chemical Property Profile of 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride
Property Insights of 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride
The XLogP value of 2.5851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride. With a topological polar surface area (TPSA) of 41.6 Ų, 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride has 2 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 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride?
The CAS number of 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride is 33812-54-3.
What is the molecular formula of 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride?
The molecular formula of 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride is C16H27ClN2O2.
What is the molecular weight of 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride?
The molecular weight of 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride is 314.18 g/mol.
Where can I buy 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride?
You can request a quote for 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Diethylaminoethylamino)-2-propanol benzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.