N-2-methylpropyl-N-1-methylacetonylnitrosamine
TL;DR: N-2-methylpropyl-N-1-methylacetonylnitrosamine (CAS 99503-09-0) is a chemical compound with molecular formula C8H16N2O2 and molecular weight 172.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylpropyl)-N-(3-oxobutan-2-yl)nitrous amide
Also Known As: Mampna, Nmampa, N-2-Methylpropyl-N-1-methylacetonylnitrosamine, 3-[(2-methylpropyl)(nitroso)amino]butan-2-one, 3-[(2-Methylpropyl)nitrosoamino]-2-butanone
| Molecular Formula | C8H16N2O2 |
|---|---|
| Molecular Weight | 172.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.12119 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 99503-09-0 |
|---|---|
| SMILES | CC(C)CN(C(C)C(=O)C)N=O |
| InChIKey | VKHQKUMBEVKBPR-UHFFFAOYSA-N |
Product Overview
N-2-methylpropyl-N-1-methylacetonylnitrosamine (CAS 99503-09-0), with molecular formula C8H16N2O2 and molecular weight 172.12 g/mol. IUPAC: N-(2-methylpropyl)-N-(3-oxobutan-2-yl)nitrous amide.
Chemical Property Profile of N-2-methylpropyl-N-1-methylacetonylnitrosamine
Property Insights of N-2-methylpropyl-N-1-methylacetonylnitrosamine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-2-methylpropyl-N-1-methylacetonylnitrosamine. With a topological polar surface area (TPSA) of 49.7 Ų, N-2-methylpropyl-N-1-methylacetonylnitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-2-methylpropyl-N-1-methylacetonylnitrosamine 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 N-2-methylpropyl-N-1-methylacetonylnitrosamine?
The CAS number of N-2-methylpropyl-N-1-methylacetonylnitrosamine is 99503-09-0.
What is the molecular formula of N-2-methylpropyl-N-1-methylacetonylnitrosamine?
The molecular formula of N-2-methylpropyl-N-1-methylacetonylnitrosamine is C8H16N2O2.
What is the molecular weight of N-2-methylpropyl-N-1-methylacetonylnitrosamine?
The molecular weight of N-2-methylpropyl-N-1-methylacetonylnitrosamine is 172.12 g/mol.
Where can I buy N-2-methylpropyl-N-1-methylacetonylnitrosamine?
You can request a quote for N-2-methylpropyl-N-1-methylacetonylnitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-2-methylpropyl-N-1-methylacetonylnitrosamine?
Yes, KEHONG BIO provides custom synthesis services for N-2-methylpropyl-N-1-methylacetonylnitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.