N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine
TL;DR: N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine (CAS 17951-14-3) is a chemical compound with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,3,3-tetramethyl-2-(4-nitrophenyl)guanidine
Also Known As: 2-(4'-nitrophenyl)-1,1,3,3-tetramethylguanidine, N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl -guanidine, N-[Bis(dimethylamino)methylene]-4-nitroaniline, 1,1,3,3-tetramethyl-2-(4-nitrophenyl)guanidine, N,N,N',N'-tetramethyl-N''-(4-nitrophenyl)guanidine
| Molecular Formula | C11H16N4O2 |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.12732 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 17951-14-3 |
|---|---|
| SMILES | CN(C)C(=NC1=CC=C(C=C1)[N+](=O)[O-])N(C)C |
| InChIKey | JHJHOUGVVOFMET-UHFFFAOYSA-N |
Product Overview
N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine (CAS 17951-14-3), with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol. IUPAC: 1,1,3,3-tetramethyl-2-(4-nitrophenyl)guanidine.
Chemical Property Profile of N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine
Property Insights of N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine. Following Lipinski's Rule of Five, N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine has 0 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 N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine?
The CAS number of N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine is 17951-14-3.
What is the molecular formula of N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine?
The molecular formula of N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine is C11H16N4O2.
What is the molecular weight of N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine?
The molecular weight of N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine is 236.13 g/mol.
Where can I buy N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine?
You can request a quote for N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine?
Yes, KEHONG BIO provides custom synthesis services for N''-(4-nitro-phenyl)-N,N,N',N'-tetramethyl-guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.