N-Nitrosomethyl(3-oxobutyl)amine
TL;DR: N-Nitrosomethyl(3-oxobutyl)amine (CAS 94977-29-4) is a chemical compound with molecular formula CC(=O)CCNCN=O and molecular weight 130.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(nitrosomethylamino)butan-2-one
Also Known As: N-Nitrosomethyl(3-oxobutyl)amine, 4-(nitrosomethylamino)butan-2-one, 4-(Methylnitrosamino)-2-butanone, 2-Butanone, 4-(methylnitrosamino)-, N-Nitrosomethyl-(3-oxobutyl)amine
| Molecular Formula | CC(=O)CCNCN=O |
|---|---|
| Molecular Weight | 130.07 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 58.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.07423 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 94977-29-4 |
|---|---|
| SMILES | CC(=O)CCNCN=O |
| InChIKey | JQITYOMGMPUHKZ-UHFFFAOYSA-N |
Product Overview
N-Nitrosomethyl(3-oxobutyl)amine (CAS 94977-29-4), with molecular formula CC(=O)CCNCN=O and molecular weight 130.07 g/mol. IUPAC: 4-(nitrosomethylamino)butan-2-one.
Chemical Property Profile of N-Nitrosomethyl(3-oxobutyl)amine
Property Insights of N-Nitrosomethyl(3-oxobutyl)amine
The XLogP value of -1.1 indicates that N-Nitrosomethyl(3-oxobutyl)amine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.5 Ų, N-Nitrosomethyl(3-oxobutyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nitrosomethyl(3-oxobutyl)amine has 1 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 N-Nitrosomethyl(3-oxobutyl)amine?
The CAS number of N-Nitrosomethyl(3-oxobutyl)amine is 94977-29-4.
What is the molecular formula of N-Nitrosomethyl(3-oxobutyl)amine?
The molecular formula of N-Nitrosomethyl(3-oxobutyl)amine is CC(=O)CCNCN=O.
What is the molecular weight of N-Nitrosomethyl(3-oxobutyl)amine?
The molecular weight of N-Nitrosomethyl(3-oxobutyl)amine is 130.07 g/mol.
Where can I buy N-Nitrosomethyl(3-oxobutyl)amine?
You can request a quote for N-Nitrosomethyl(3-oxobutyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosomethyl(3-oxobutyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosomethyl(3-oxobutyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.