Propane, 1-ethylamino-2,2-dinitro-
TL;DR: Propane, 1-ethylamino-2,2-dinitro- (CAS 45002-19-5) is a chemical compound with molecular formula C5H11N3O4 and molecular weight 177.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-2,2-dinitropropan-1-amine
Also Known As: 2.2-Dinitro-4-aza-hexan, N-Ethyl-2,2-dinitro-1-propanamine, N-ethyl-2,2-dinitropropan-1-amine, Propane, 1-ethylamino-2,2-dinitro-, N-Ethyl-2,2-dinitro-1-propanamine #
| Molecular Formula | C5H11N3O4 |
|---|---|
| Molecular Weight | 177.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07495 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 45002-19-5 |
|---|---|
| SMILES | CCNCC(C)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OCZROONPVVKIHU-UHFFFAOYSA-N |
Product Overview
Propane, 1-ethylamino-2,2-dinitro- (CAS 45002-19-5), with molecular formula C5H11N3O4 and molecular weight 177.07 g/mol. IUPAC: N-ethyl-2,2-dinitropropan-1-amine.
Chemical Property Profile of Propane, 1-ethylamino-2,2-dinitro-
Property Insights of Propane, 1-ethylamino-2,2-dinitro-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propane, 1-ethylamino-2,2-dinitro-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propane, 1-ethylamino-2,2-dinitro-. Following Lipinski's Rule of Five, Propane, 1-ethylamino-2,2-dinitro- has 1 hydrogen bond donor(s) and 5 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 Propane, 1-ethylamino-2,2-dinitro-?
The CAS number of Propane, 1-ethylamino-2,2-dinitro- is 45002-19-5.
What is the molecular formula of Propane, 1-ethylamino-2,2-dinitro-?
The molecular formula of Propane, 1-ethylamino-2,2-dinitro- is C5H11N3O4.
What is the molecular weight of Propane, 1-ethylamino-2,2-dinitro-?
The molecular weight of Propane, 1-ethylamino-2,2-dinitro- is 177.07 g/mol.
Where can I buy Propane, 1-ethylamino-2,2-dinitro-?
You can request a quote for Propane, 1-ethylamino-2,2-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propane, 1-ethylamino-2,2-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Propane, 1-ethylamino-2,2-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.