1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1)
TL;DR: 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1) (CAS 151868-67-6) is a chemical compound with molecular formula C6H12N3O4P and molecular weight 221.05655 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-iminopyrrolidin-1-yl)acetonitrile;phosphoric acid
Also Known As: 2-Imino-1-pyrrolidineacetonitrile phosphate (1:1), 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1), 2-(2-iminopyrrolidin-1-yl)acetonitrile; phosphoric acid, Phosphoric acid--(2-iminopyrrolidin-1-yl)acetonitrile (1/1)
Technical Specifications
| Molecular Formula | C6H12N3O4P |
| Molecular Weight | 221.05655 g/mol |
| XLogP | -0.34555 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.05655 Da |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
| SMILES | C1CC(=N)N(C1)CC#N.OP(=O)(O)O |
| InChIKey | VOWRHDFINBRACB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1)
Property Insights of 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1)
The XLogP value of -0.34555 indicates that 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1). Following Lipinski's Rule of Five, 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1) has 4 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 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1)?
The CAS number of 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1) is 151868-67-6.
What is the molecular formula of 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1)?
The molecular formula of 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1) is C6H12N3O4P.
What is the molecular weight of 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1)?
The molecular weight of 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1) is 221.05655 g/mol.
Where can I buy 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1)?
You can request a quote for 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1)?
Yes, CoreyChem provides custom synthesis services for 1-Pyrrolidineacetonitrile, 2-imino-, phosphate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.