![N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride structure](/static/products/1025/1025759-04-9.webp)
N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride
TL;DR: N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride (CAS 1025759-04-9) is a chemical compound with molecular formula C12H17ClF3N3O2 and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)propyl-[4-nitro-2-(trifluoromethyl)phenyl]azanium chloride
Also Known As: N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride, 11T-0659, 3-(dimethylamino)propyl-[4-nitro-2-(trifluoromethyl)phenyl]azanium;chloride, N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)aniline hydrochloride, 3-(dimethylamino)propyl-[4-nitro-2-(trifluoromethyl)phenyl]azanium chloride
| Molecular Formula | C12H17ClF3N3O2 |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | -1.2358 |
| Topological Polar Surface Area | 62.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.09613 |
| Heavy Atoms | 21 |
| Complexity | 481.30573 |
Chemical Identifiers
| CAS Number | 1025759-04-9 |
|---|---|
| SMILES | CN(C)CCC[NH2+]C1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F.[Cl-] |
Product Overview
N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride (CAS 1025759-04-9), with molecular formula C12H17ClF3N3O2 and molecular weight 327.10 g/mol. IUPAC: 3-(dimethylamino)propyl-[4-nitro-2-(trifluoromethyl)phenyl]azanium chloride.
Chemical Property Profile of N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride
Property Insights of N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride
The XLogP value of -1.2358 indicates that N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride. Following Lipinski's Rule of Five, N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride 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 N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride?
The CAS number of N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride is 1025759-04-9.
What is the molecular formula of N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride?
The molecular formula of N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride is C12H17ClF3N3O2.
What is the molecular weight of N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride?
The molecular weight of N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride is 327.10 g/mol.
Where can I buy N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride?
You can request a quote for N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(dimethylamino)propyl]-4-nitro-2-(trifluoromethyl)benzenaminium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.