1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate
TL;DR: 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate (CAS 101931-54-8) is a chemical compound with molecular formula C25H34Cl2N8O16 and molecular weight 772.147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N',N'-bis(2-chloroethyl)-N,N-diethylpentane-1,5-diamine oxide;bis(2,4,6-trinitrophenol)
Also Known As: 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate, N',N'-bis(2-chloroethyl)-N,N-diethylpentane-1,5-diamine oxide; 2,4,6-trinitrophenol, N~1~,N~1~-Bis(2-chloroethyl)-N~5~,N~5~-diethylpentane-1,5-diamine N-oxide--2,4,6-trinitrophenol (1/2)
Technical Specifications
| Molecular Formula | C25H34Cl2N8O16 |
| Molecular Weight | 772.147 g/mol |
| XLogP | 5.5369 |
| Topological Polar Surface Area (TPSA) | 352.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 772.147 Da |
| Heavy Atoms | 51 |
| Complexity | 512.0 |
| SMILES | CC[N+](CC)(CCCCC[N+](CCCl)(CCCl)[O-])[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CGMWKYLAZZJWGZ-UHFFFAOYSA-N |
Product Description
Applications: AC1MI6ST is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MI6ST (CAS 101931-54-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
AC1MI6ST is a fine chemical identified by CAS number 101931-54-8 and the molecular formula C25H34Cl2N8O16 and a molecular weight of 772.15 g/mol. It is also known as 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate and N',N'-bis(2-chloroethyl)-N,N-diethylpentane-1,5-diamine oxide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate
Property Insights of 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate
The XLogP value of 5.5369 indicates that 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 352.0 Ų indicates high polarity, suggesting 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate?
The CAS number of 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate is 101931-54-8.
What is the molecular formula of 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate?
The molecular formula of 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate is C25H34Cl2N8O16.
What is the molecular weight of 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate?
The molecular weight of 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate is 772.147 g/mol.
What are the applications of 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate?
AC1MI6ST is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MI6ST (CAS 101931-54-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate?
You can request a quote for 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate?
Yes, CoreyChem provides custom synthesis services for 1,5-Pentanediamine, N,N-bis(2-chloroethyl)-N',N'-diethyl-, N,N'-dioxide, dipicrate, monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.