Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro-
TL;DR: Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro- (CAS 7046-61-9) is a chemical compound with molecular formula C6H8N4O4 and molecular weight 200.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-isocyanatoethyl)nitramide
Also Known As: Nitroiminodiethylenediisocyanic acid, 3-Nitro-3-azapentane-1,5-diisocyanate, N,N-bis(2-isocyanatoethyl)nitramide, (Nitroimino)diethylenediisocyanate, ISOCYANIC ACID, NITROIMINODIETHYLENEDI-
| Molecular Formula | C6H8N4O4 |
|---|---|
| Molecular Weight | 200.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 200.05455 |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 7046-61-9 |
|---|---|
| SMILES | C(CN(CCN=C=O)[N+](=O)[O-])N=C=O |
| InChIKey | PMZAXZNFRDOMGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro- (CAS 7046-61-9), with molecular formula C6H8N4O4 and molecular weight 200.05 g/mol. IUPAC: N,N-bis(2-isocyanatoethyl)nitramide.
Chemical Property Profile of Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro-
Property Insights of Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro-. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro-. Following Lipinski's Rule of Five, Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro- has 0 hydrogen bond donor(s) and 7 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 Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro-?
The CAS number of Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro- is 7046-61-9.
What is the molecular formula of Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro-?
The molecular formula of Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro- is C6H8N4O4.
What is the molecular weight of Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro-?
The molecular weight of Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro- is 200.05 g/mol.
Where can I buy Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro-?
You can request a quote for Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Ethanamine, 2-isocyanato-N-(2-isocyanatoethyl)-N-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.