1-(Methylnitrosoamino)-2-propanone
TL;DR: 1-(Methylnitrosoamino)-2-propanone (CAS 55984-51-5) 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-(2-oxopropyl)nitrous amide
Also Known As: N-Nitrosomethyl(2-oxopropyl)amine, N-Nitrosomethyl-2-oxopropylamine, (2-Oxopropyl)methylnitrosamine, 2-Propanone,1- -, 1-[methyl(nitroso)amino]propan-2-one
| Molecular Formula | C4H8N2O2 |
|---|---|
| Molecular Weight | 116.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.05858 |
| Heavy Atoms | 8 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 55984-51-5 |
|---|---|
| SMILES | CC(=O)CN(C)N=O |
| InChIKey | CWULQTRBZMJZEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Methylnitrosoamino)-2-propanone (CAS 55984-51-5), with molecular formula C4H8N2O2 and molecular weight 116.06 g/mol. IUPAC: N-methyl-N-(2-oxopropyl)nitrous amide.
Chemical Property Profile of 1-(Methylnitrosoamino)-2-propanone
Property Insights of 1-(Methylnitrosoamino)-2-propanone
The XLogP value of -0.1 indicates that 1-(Methylnitrosoamino)-2-propanone 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, 1-(Methylnitrosoamino)-2-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Methylnitrosoamino)-2-propanone 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 1-(Methylnitrosoamino)-2-propanone?
The CAS number of 1-(Methylnitrosoamino)-2-propanone is 55984-51-5.
What is the molecular formula of 1-(Methylnitrosoamino)-2-propanone?
The molecular formula of 1-(Methylnitrosoamino)-2-propanone is C4H8N2O2.
What is the molecular weight of 1-(Methylnitrosoamino)-2-propanone?
The molecular weight of 1-(Methylnitrosoamino)-2-propanone is 116.06 g/mol.
Where can I buy 1-(Methylnitrosoamino)-2-propanone?
You can request a quote for 1-(Methylnitrosoamino)-2-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methylnitrosoamino)-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methylnitrosoamino)-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.