3-((3-Methylbutyl)nitrosoamino)-2-butanone
TL;DR: 3-((3-Methylbutyl)nitrosoamino)-2-butanone (CAS 71016-15-4) is a chemical compound with molecular formula C9H18N2O2 and molecular weight 186.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylbutyl)-N-(3-oxobutan-2-yl)nitrous amide
Also Known As: Mambna, 3-((Isopentyl)nitrosoamino)-2-butanone, N-3-Methylbutyl-N-1-methylacetonylnitrosamine, 3-[(3-Methylbutyl)nitrosoamino]-2-butanone, N-3-Methylbutyl-N-1-methyl acetonylnitrosamine
| Molecular Formula | C9H18N2O2 |
|---|---|
| Molecular Weight | 186.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 186.13683 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 71016-15-4 |
|---|---|
| SMILES | CC(C)CCN(C(C)C(=O)C)N=O |
| InChIKey | SJEKZTPKCBODER-UHFFFAOYSA-N |
Product Overview
3-((3-Methylbutyl)nitrosoamino)-2-butanone (CAS 71016-15-4), with molecular formula C9H18N2O2 and molecular weight 186.14 g/mol. IUPAC: N-(3-methylbutyl)-N-(3-oxobutan-2-yl)nitrous amide.
Chemical Property Profile of 3-((3-Methylbutyl)nitrosoamino)-2-butanone
Property Insights of 3-((3-Methylbutyl)nitrosoamino)-2-butanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((3-Methylbutyl)nitrosoamino)-2-butanone. With a topological polar surface area (TPSA) of 49.7 Ų, 3-((3-Methylbutyl)nitrosoamino)-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((3-Methylbutyl)nitrosoamino)-2-butanone 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-((3-Methylbutyl)nitrosoamino)-2-butanone?
The CAS number of 3-((3-Methylbutyl)nitrosoamino)-2-butanone is 71016-15-4.
What is the molecular formula of 3-((3-Methylbutyl)nitrosoamino)-2-butanone?
The molecular formula of 3-((3-Methylbutyl)nitrosoamino)-2-butanone is C9H18N2O2.
What is the molecular weight of 3-((3-Methylbutyl)nitrosoamino)-2-butanone?
The molecular weight of 3-((3-Methylbutyl)nitrosoamino)-2-butanone is 186.14 g/mol.
Where can I buy 3-((3-Methylbutyl)nitrosoamino)-2-butanone?
You can request a quote for 3-((3-Methylbutyl)nitrosoamino)-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3-Methylbutyl)nitrosoamino)-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-Methylbutyl)nitrosoamino)-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.