Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis-
TL;DR: Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis- (CAS 110057-45-9) is a chemical compound with molecular formula C11H14N6 and molecular weight 230.12799 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[bis(cyanomethyl)amino]propyl-(cyanomethyl)amino]acetonitrile
Also Known As: Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis-, J3.782.125J, 2,2',2'',2'''-(Propane-1,3-diyldinitrilo)tetraacetonitrile, 2-[3-[bis(cyanomethyl)amino]propyl-(cyanomethyl)amino]acetonitrile, 2-({3-[BIS(CYANOMETHYL)AMINO]PROPYL}(CYANOMETHYL)AMINO)ACETONITRILE
Technical Specifications
| Molecular Formula | C11H14N6 |
| Molecular Weight | 230.12799 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 230.12799 Da |
| Heavy Atoms | 17 |
| Complexity | 328.0 |
| SMILES | C(CN(CC#N)CC#N)CN(CC#N)CC#N |
| InChIKey | KSCJDIGKTDTGDE-UHFFFAOYSA-N |
Chemical Property Profile of Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis-
Property Insights of Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis-
The XLogP value of -0.2 indicates that Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis-. Following Lipinski's Rule of Five, Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis-?
The CAS number of Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis- is 110057-45-9.
What is the molecular formula of Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis-?
The molecular formula of Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis- is C11H14N6.
What is the molecular weight of Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis-?
The molecular weight of Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis- is 230.12799 g/mol.
Where can I buy Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis-?
You can request a quote for Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis-?
Yes, CoreyChem provides custom synthesis services for Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.