N-甲基-N-亚硝基-2,2,2-三氟乙胺
TL;DR: N-甲基-N-亚硝基-2,2,2-三氟乙胺 (CAS 819-35-2) is a chemical compound with molecular formula C3H5F3N2O and molecular weight 142.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-甲基-N-亚硝基-2,2,2-三氟乙胺
N-methyl-N-(2,2,2-trifluoroethyl)nitrous amide
Also Known As: Nitrosomethyl-2-trifluoroethylamine, Upadacitinib Impurity 176, N-methyl-N-(2,2,2-trifluoroethyl)nitrous amide, Methyl(2,2,2-trifluoroethyl)nitrosamine, ETHYLAMINE, N-METHYL-N-NITROSO-2,2,2-TRIFLUORO-
| Molecular Formula | C3H5F3N2O |
|---|---|
| Molecular Weight | 142.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.0354 |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 819-35-2 |
|---|---|
| SMILES | CN(CC(F)(F)F)N=O |
| InChIKey | LMGJQNSPQYXKLA-UHFFFAOYSA-N |
Product Overview
N-甲基-N-亚硝基-2,2,2-三氟乙胺 (CAS 819-35-2), with molecular formula C3H5F3N2O and molecular weight 142.04 g/mol. IUPAC: N-methyl-N-(2,2,2-trifluoroethyl)nitrous amide.
Chemical Property Profile of N-甲基-N-亚硝基-2,2,2-三氟乙胺
Property Insights of N-甲基-N-亚硝基-2,2,2-三氟乙胺
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-甲基-N-亚硝基-2,2,2-三氟乙胺. With a topological polar surface area (TPSA) of 32.7 Ų, N-甲基-N-亚硝基-2,2,2-三氟乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-甲基-N-亚硝基-2,2,2-三氟乙胺 has 0 hydrogen bond donor(s) and 6 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-甲基-N-亚硝基-2,2,2-三氟乙胺?
The CAS number of N-甲基-N-亚硝基-2,2,2-三氟乙胺 is 819-35-2.
What is the molecular formula of N-甲基-N-亚硝基-2,2,2-三氟乙胺?
The molecular formula of N-甲基-N-亚硝基-2,2,2-三氟乙胺 is C3H5F3N2O.
What is the molecular weight of N-甲基-N-亚硝基-2,2,2-三氟乙胺?
The molecular weight of N-甲基-N-亚硝基-2,2,2-三氟乙胺 is 142.04 g/mol.
Where can I buy N-甲基-N-亚硝基-2,2,2-三氟乙胺?
You can request a quote for N-甲基-N-亚硝基-2,2,2-三氟乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-甲基-N-亚硝基-2,2,2-三氟乙胺?
Yes, KEHONG BIO provides custom synthesis services for N-甲基-N-亚硝基-2,2,2-三氟乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.