3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1)
TL;DR: 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1) (CAS 83658-47-3) is a chemical compound with molecular formula C21H23N3O6 and molecular weight 413.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;oxalic acid
Also Known As: 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1), 3-Isoquinolineethanamine, 3,4-dihydro-N,N-dimethyl-1-(2-nitrophenyl)-, ethanedioate (1:1), N,N-dimethyl-2-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine,oxalic acid, N,N-dimethyl-2-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine; oxalic acid, Oxalic acid--N,N-dimethyl-2-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethan-1-amine (1/1)
| Molecular Formula | C21H23N3O6 |
|---|---|
| Molecular Weight | 413.16 g/mol |
| LogP | 2.4642 |
| Topological Polar Surface Area | 133.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.1587 |
| Heavy Atoms | 30 |
| Complexity | 958.719 |
Chemical Identifiers
| CAS Number | 83658-47-3 |
|---|---|
| SMILES | CN(C)CCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O |
Product Overview
3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1) (CAS 83658-47-3), with molecular formula C21H23N3O6 and molecular weight 413.16 g/mol. IUPAC: N,N-dimethyl-2-[1-(2-nitrophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine;oxalic acid.
Chemical Property Profile of 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1)
Property Insights of 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1)
The XLogP value of 2.4642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1). The TPSA of 133.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1). Following Lipinski's Rule of Five, 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1) has 2 hydrogen bond donor(s) and 6 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 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1)?
The CAS number of 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1) is 83658-47-3.
What is the molecular formula of 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1)?
The molecular formula of 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1) is C21H23N3O6.
What is the molecular weight of 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1)?
The molecular weight of 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1) is 413.16 g/mol.
Where can I buy 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1)?
You can request a quote for 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-N,N-dimethyl-1-(2-nitrophenyl)-3-isoquinolineethanamine ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.