tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate
TL;DR: tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate (CAS 100482-72-2) is a chemical compound with molecular formula C14H20Cl2N4O8 and molecular weight 442.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-2-methylpropan-2-amine oxide;2,4,6-trinitrophenol
Also Known As: N-tert-Butyl-bis(2-chloroethyl)amine N-oxide picrate, tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate, N,N-Bis(2-chloroethyl)-tert-butylamine N-oxide picrate, N,N-bis(2-chloroethyl)-2-methylpropan-2-amine oxide,2,4,6-tr, 1-(m-Chlorophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-ol
| Molecular Formula | C14H20Cl2N4O8 |
|---|---|
| Molecular Weight | 442.07 g/mol |
| LogP | 3.6939 |
| Topological Polar Surface Area | 172.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.06583 |
| Heavy Atoms | 28 |
| Complexity | 697.53687 |
Chemical Identifiers
| CAS Number | 100482-72-2 |
|---|---|
| SMILES | CC(C)(C)[N+](CCCl)(CCCl)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate (CAS 100482-72-2), with molecular formula C14H20Cl2N4O8 and molecular weight 442.07 g/mol. IUPAC: N,N-bis(2-chloroethyl)-2-methylpropan-2-amine oxide;2,4,6-trinitrophenol.
Chemical Property Profile of tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate
Property Insights of tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate
The XLogP value of 3.6939 indicates that tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.71 Ų indicates high polarity, suggesting tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate has 1 hydrogen bond donor(s) and 8 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 tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate?
The CAS number of tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate is 100482-72-2.
What is the molecular formula of tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate?
The molecular formula of tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate is C14H20Cl2N4O8.
What is the molecular weight of tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate?
The molecular weight of tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate is 442.07 g/mol.
Where can I buy tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate?
You can request a quote for tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butylamine, N,N-bis(2-chloroethyl)-, N-oxide, picrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.