![N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine structure](/static/products/100/100181-15-5.png)
N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine
TL;DR: N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine (CAS 100181-15-5) is a chemical compound with molecular formula C12H16F3N3O2 and molecular weight 291.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine
Also Known As: N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine, N-(3-(dimethylamino)propyl)-4-nitro-2-(trifluoromethyl)benzenamine, 3-phenyl-6,6-di-p-tolyl-4H-1,5,2-oxathiazine, 4-(2-hydroxy-2,2-di-p-tolylethyl)-4'-methylbenzophenone, N,N-Dimethyl-N'-(4-nitro-2-trifluoromethyl-phenyl)-propane-1,3-diamine
| Molecular Formula | C12H16F3N3O2 |
|---|---|
| Molecular Weight | 291.12 g/mol |
| LogP | 2.9772 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.11948 |
| Heavy Atoms | 20 |
| Complexity | 475.5056 |
Chemical Identifiers
| CAS Number | 100181-15-5 |
|---|---|
| SMILES | CN(C)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F |
Product Overview
N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine (CAS 100181-15-5), with molecular formula C12H16F3N3O2 and molecular weight 291.12 g/mol. IUPAC: N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine.
Chemical Property Profile of N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine
Property Insights of N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine
The XLogP value of 2.9772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine. With a topological polar surface area (TPSA) of 58.41 Ų, N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine has 1 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 N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine?
The CAS number of N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine is 100181-15-5.
What is the molecular formula of N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine?
The molecular formula of N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine is C12H16F3N3O2.
What is the molecular weight of N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine?
The molecular weight of N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine is 291.12 g/mol.
Where can I buy N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine?
You can request a quote for N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N',N'-dimethyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propane-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.