3,3'-(硝基亚氨基)二丙腈
TL;DR: 3,3'-(硝基亚氨基)二丙腈 (CAS 4164-33-4) is a chemical compound with molecular formula C6H8N4O2 and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-(硝基亚氨基)二丙腈
N,N-bis(2-cyanoethyl)nitramide
Also Known As: N,N-bis(2-cyanoethyl)nitramide, Bis(2-cyanoethyl)nitroamine, Propanenitrile, 3,3'-(nitroimino)bis-, nitrobis(2 cyanoethyl)amine, N-nitrobis(2-cyanoethyl)amine
| Molecular Formula | C6H8N4O2 |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.06473 |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 4164-33-4 |
|---|---|
| SMILES | C(CN(CCC#N)[N+](=O)[O-])C#N |
| InChIKey | OPXYCJYYLGORGT-UHFFFAOYSA-N |
Product Overview
3,3'-(硝基亚氨基)二丙腈 (CAS 4164-33-4), with molecular formula C6H8N4O2 and molecular weight 168.06 g/mol. IUPAC: N,N-bis(2-cyanoethyl)nitramide.
Chemical Property Profile of 3,3'-(硝基亚氨基)二丙腈
Property Insights of 3,3'-(硝基亚氨基)二丙腈
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(硝基亚氨基)二丙腈. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(硝基亚氨基)二丙腈. Following Lipinski's Rule of Five, 3,3'-(硝基亚氨基)二丙腈 has 0 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 3,3'-(硝基亚氨基)二丙腈?
The CAS number of 3,3'-(硝基亚氨基)二丙腈 is 4164-33-4.
What is the molecular formula of 3,3'-(硝基亚氨基)二丙腈?
The molecular formula of 3,3'-(硝基亚氨基)二丙腈 is C6H8N4O2.
What is the molecular weight of 3,3'-(硝基亚氨基)二丙腈?
The molecular weight of 3,3'-(硝基亚氨基)二丙腈 is 168.06 g/mol.
Where can I buy 3,3'-(硝基亚氨基)二丙腈?
You can request a quote for 3,3'-(硝基亚氨基)二丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(硝基亚氨基)二丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(硝基亚氨基)二丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.