3-(Methylnitrosoamino)propanal
TL;DR: 3-(Methylnitrosoamino)propanal (CAS 85502-23-4) is a chemical compound with molecular formula C4H8N2O2 and molecular weight 116.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-(3-oxopropyl)nitrous amide
Also Known As: 3-(Methylnitrosamino)propanal, 3-(N-Nitrosomethylamino)propionaldehyde, 3-(Methylnitrosoamino)propanal, 3-Methylnitrosaminopropionaldehyde, N-methyl-N-(3-oxopropyl)nitrous amide
| Molecular Formula | C4H8N2O2 |
|---|---|
| Molecular Weight | 116.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.05858 |
| Heavy Atoms | 8 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 85502-23-4 |
|---|---|
| SMILES | CN(CCC=O)N=O |
| InChIKey | CQGSPCLZUXSVHE-UHFFFAOYSA-N |
Product Overview
3-(Methylnitrosoamino)propanal (CAS 85502-23-4), with molecular formula C4H8N2O2 and molecular weight 116.06 g/mol. IUPAC: N-methyl-N-(3-oxopropyl)nitrous amide.
Chemical Property Profile of 3-(Methylnitrosoamino)propanal
Property Insights of 3-(Methylnitrosoamino)propanal
The XLogP value of -0.4 indicates that 3-(Methylnitrosoamino)propanal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.7 Ų, 3-(Methylnitrosoamino)propanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylnitrosoamino)propanal has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Methylnitrosoamino)propanal?
The CAS number of 3-(Methylnitrosoamino)propanal is 85502-23-4.
What is the molecular formula of 3-(Methylnitrosoamino)propanal?
The molecular formula of 3-(Methylnitrosoamino)propanal is C4H8N2O2.
What is the molecular weight of 3-(Methylnitrosoamino)propanal?
The molecular weight of 3-(Methylnitrosoamino)propanal is 116.06 g/mol.
Where can I buy 3-(Methylnitrosoamino)propanal?
You can request a quote for 3-(Methylnitrosoamino)propanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylnitrosoamino)propanal?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylnitrosoamino)propanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.