1-(N-methyl-N-nitrosamino)methyl pivaloate
TL;DR: 1-(N-methyl-N-nitrosamino)methyl pivaloate (CAS 93614-10-9) is a chemical compound with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[methyl(nitroso)amino]methyl 2,2-dimethylpropanoate
Also Known As: NNMP, 1-(N-Methyl-N-nitrosamino)methyl pivaloate, [methyl(nitroso)amino]methyl 2,2-dimethylpropanoate, Propanoic acid, 2,2-dimethyl-, (3alpha,5beta,7alpha,12alpha,24xi)-, RefChem:74742
| Molecular Formula | C7H14N2O3 |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.10045 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 93614-10-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCN(C)N=O |
| InChIKey | BOASPQITGIFGOF-UHFFFAOYSA-N |
Product Overview
1-(N-methyl-N-nitrosamino)methyl pivaloate (CAS 93614-10-9), with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol. IUPAC: [methyl(nitroso)amino]methyl 2,2-dimethylpropanoate.
Chemical Property Profile of 1-(N-methyl-N-nitrosamino)methyl pivaloate
Property Insights of 1-(N-methyl-N-nitrosamino)methyl pivaloate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(N-methyl-N-nitrosamino)methyl pivaloate. With a topological polar surface area (TPSA) of 59.0 Ų, 1-(N-methyl-N-nitrosamino)methyl pivaloate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(N-methyl-N-nitrosamino)methyl pivaloate has 0 hydrogen bond donor(s) and 5 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-(N-methyl-N-nitrosamino)methyl pivaloate?
The CAS number of 1-(N-methyl-N-nitrosamino)methyl pivaloate is 93614-10-9.
What is the molecular formula of 1-(N-methyl-N-nitrosamino)methyl pivaloate?
The molecular formula of 1-(N-methyl-N-nitrosamino)methyl pivaloate is C7H14N2O3.
What is the molecular weight of 1-(N-methyl-N-nitrosamino)methyl pivaloate?
The molecular weight of 1-(N-methyl-N-nitrosamino)methyl pivaloate is 174.10 g/mol.
Where can I buy 1-(N-methyl-N-nitrosamino)methyl pivaloate?
You can request a quote for 1-(N-methyl-N-nitrosamino)methyl pivaloate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(N-methyl-N-nitrosamino)methyl pivaloate?
Yes, KEHONG BIO provides custom synthesis services for 1-(N-methyl-N-nitrosamino)methyl pivaloate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.