N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol
TL;DR: N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol (CAS 7505-16-0) is a chemical compound with molecular formula C13H21N5O7 and molecular weight 359.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol
Also Known As: N',N'-diethylpropane-1,3-diamine,2,4,6-trinitrophenol, N,N-diethylpropane-1,3-diamine; 2,4,6-trinitrophenol, N',N'-diethylpropane-1,3-diamine; 2,4,6-trinitrophenol, 2,4,6-Trinitrophenol--N~1~,N~1~-diethylpropane-1,3-diamine (1/1)
| Molecular Formula | C13H21N5O7 |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 1.7938 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.1441 |
| Heavy Atoms | 25 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 7505-16-0 |
|---|---|
| SMILES | CCN(CC)CCCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YSIJQWQKOCCCBG-UHFFFAOYSA-N |
Product Overview
N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol (CAS 7505-16-0), with molecular formula C13H21N5O7 and molecular weight 359.14 g/mol. IUPAC: N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol.
Chemical Property Profile of N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol
Property Insights of N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol
The XLogP value of 1.7938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol. The TPSA of 187.0 Ų indicates high polarity, suggesting N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N',N'-diethylpropane-1,3-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 N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol?
The CAS number of N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol is 7505-16-0.
What is the molecular formula of N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol?
The molecular formula of N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol is C13H21N5O7.
What is the molecular weight of N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol?
The molecular weight of N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol is 359.14 g/mol.
Where can I buy N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol?
You can request a quote for N',N'-diethylpropane-1,3-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 N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for N',N'-diethylpropane-1,3-diamine;2,4,6-trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.