4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol
TL;DR: 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol (CAS 7461-57-6) is a chemical compound with molecular formula C14H21N5O7 and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol
Also Known As: 4-N,4-N-dimethylcyclohexane-1,4-diamine,2,4,6-trinitrophenol, 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol, 4-N,4-N-dimethylcyclohexane-1,4-diamine; 2,4,6-trinitrophenol, 2,4,6-Trinitrophenol--N~1~,N~1~-dimethylcyclohexane-1,4-diamine (1/1)
| Molecular Formula | C14H21N5O7 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 1.9347 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 371.1441 |
| Heavy Atoms | 26 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 7461-57-6 |
|---|---|
| SMILES | CN(C)C1CCC(CC1)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WXMOVYNREFJIAW-UHFFFAOYSA-N |
Product Overview
4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol (CAS 7461-57-6), with molecular formula C14H21N5O7 and molecular weight 371.14 g/mol. IUPAC: 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol.
Chemical Property Profile of 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol
Property Insights of 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol
The XLogP value of 1.9347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol. The TPSA of 187.0 Ų indicates high polarity, suggesting 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol has 2 hydrogen bond donor(s) and 9 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 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol?
The CAS number of 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol is 7461-57-6.
What is the molecular formula of 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol?
The molecular formula of 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol is C14H21N5O7.
What is the molecular weight of 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol?
The molecular weight of 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol is 371.14 g/mol.
Where can I buy 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol?
You can request a quote for 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-N,4-N-dimethylcyclohexane-1,4-diamine;2,4,6-trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.