3-(N-carbethoxy-N-nitrosamino)propionaldehyde
TL;DR: 3-(N-carbethoxy-N-nitrosamino)propionaldehyde (CAS 151751-83-6) is a chemical compound with molecular formula C6H10N2O4 and molecular weight 174.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-nitroso-N-(3-oxopropyl)carbamate
Also Known As: carbethoxy-NPA, ethyl N-nitroso-N-(3-oxopropyl)carbamate, 3-(N-carbethoxy-N-nitrosamino)propionaldehyde, Ethyl nitroso(3-oxopropyl)carbamate, Sid 732055
Technical Specifications
| Molecular Formula | C6H10N2O4 |
| Molecular Weight | 174.06406 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.06406 Da |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
| SMILES | CCOC(=O)N(CCC=O)N=O |
| InChIKey | KOKQIXISIOUXJI-UHFFFAOYSA-N |
Chemical Property Profile of 3-(N-carbethoxy-N-nitrosamino)propionaldehyde
Property Insights of 3-(N-carbethoxy-N-nitrosamino)propionaldehyde
The XLogP value of -0.4 indicates that 3-(N-carbethoxy-N-nitrosamino)propionaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(N-carbethoxy-N-nitrosamino)propionaldehyde. Following Lipinski's Rule of Five, 3-(N-carbethoxy-N-nitrosamino)propionaldehyde 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 3-(N-carbethoxy-N-nitrosamino)propionaldehyde?
The CAS number of 3-(N-carbethoxy-N-nitrosamino)propionaldehyde is 151751-83-6.
What is the molecular formula of 3-(N-carbethoxy-N-nitrosamino)propionaldehyde?
The molecular formula of 3-(N-carbethoxy-N-nitrosamino)propionaldehyde is C6H10N2O4.
What is the molecular weight of 3-(N-carbethoxy-N-nitrosamino)propionaldehyde?
The molecular weight of 3-(N-carbethoxy-N-nitrosamino)propionaldehyde is 174.06406 g/mol.
Where can I buy 3-(N-carbethoxy-N-nitrosamino)propionaldehyde?
You can request a quote for 3-(N-carbethoxy-N-nitrosamino)propionaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(N-carbethoxy-N-nitrosamino)propionaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-(N-carbethoxy-N-nitrosamino)propionaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.