1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate
TL;DR: 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate (CAS 151868-68-7) is a chemical compound with molecular formula C15H17N3O4 and molecular weight 303.12192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-benzyliminopyrrolidin-1-yl)acetonitrile;oxalic acid
Also Known As: 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate, 2-((Phenylmethyl)imino)-1-pyrrolidineacetonitrile ethanedioate (1:1), 1-Pyrrolidineacetonitrile, 2-((phenylmethyl)imino)-, ethanedioate (1:1), 2-(2-benzyliminopyrrolidin-1-yl)acetonitrile; oxalic acid
Technical Specifications
| Molecular Formula | C15H17N3O4 |
| Molecular Weight | 303.12192 g/mol |
| XLogP | 1.36008 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.12192 Da |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
| SMILES | C1CC(=NCC2=CC=CC=C2)N(C1)CC#N.C(=O)(C(=O)O)O |
| InChIKey | CKJWMTPUULVHMU-UHFFFAOYSA-N |
Chemical Property Profile of 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate
Property Insights of 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate
The XLogP value of 1.36008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate. Following Lipinski's Rule of Five, 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate has 2 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-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate?
The CAS number of 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate is 151868-68-7.
What is the molecular formula of 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate?
The molecular formula of 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate is C15H17N3O4.
What is the molecular weight of 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate?
The molecular weight of 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate is 303.12192 g/mol.
Where can I buy 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate?
You can request a quote for 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate?
Yes, CoreyChem provides custom synthesis services for 1-Cyanomethyl-2-benzyliminopyrrolidine ethanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.