2-(N-Carbethoxy-N-nitrosamino)propionitrile
TL;DR: 2-(N-Carbethoxy-N-nitrosamino)propionitrile (CAS 118625-36-8) is a chemical compound with molecular formula C6H9N3O3 and molecular weight 171.06439 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-(2-cyanoethyl)-N-nitrosocarbamate
Also Known As: 2-(N-Carbethoxy-N-nitrosamino)propionitrile, Ethyl (2-cyanoethyl)(nitroso)carbamate, ethyl N-(2-cyanoethyl)-N-nitrosocarbamate, Ethyl N-(2-cyanoethyl)-N-nitroso-carbamate
Technical Specifications
| Molecular Formula | C6H9N3O3 |
| Molecular Weight | 171.06439 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.06439 Da |
| Heavy Atoms | 12 |
| Complexity | 207.0 |
| SMILES | CCOC(=O)N(CCC#N)N=O |
| InChIKey | MSADLEYIIKUDHU-UHFFFAOYSA-N |
Chemical Property Profile of 2-(N-Carbethoxy-N-nitrosamino)propionitrile
Property Insights of 2-(N-Carbethoxy-N-nitrosamino)propionitrile
The XLogP value of -0.1 indicates that 2-(N-Carbethoxy-N-nitrosamino)propionitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(N-Carbethoxy-N-nitrosamino)propionitrile. Following Lipinski's Rule of Five, 2-(N-Carbethoxy-N-nitrosamino)propionitrile 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
What is the CAS number of 2-(N-Carbethoxy-N-nitrosamino)propionitrile?
The CAS number of 2-(N-Carbethoxy-N-nitrosamino)propionitrile is 118625-36-8.
What is the molecular formula of 2-(N-Carbethoxy-N-nitrosamino)propionitrile?
The molecular formula of 2-(N-Carbethoxy-N-nitrosamino)propionitrile is C6H9N3O3.
What is the molecular weight of 2-(N-Carbethoxy-N-nitrosamino)propionitrile?
The molecular weight of 2-(N-Carbethoxy-N-nitrosamino)propionitrile is 171.06439 g/mol.
Where can I buy 2-(N-Carbethoxy-N-nitrosamino)propionitrile?
You can request a quote for 2-(N-Carbethoxy-N-nitrosamino)propionitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(N-Carbethoxy-N-nitrosamino)propionitrile?
Yes, CoreyChem provides custom synthesis services for 2-(N-Carbethoxy-N-nitrosamino)propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.