N-tert-butyl-N-(3-nitrophenyl)formamide
TL;DR: N-tert-butyl-N-(3-nitrophenyl)formamide (CAS 121953-58-0) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-N-(3-nitrophenyl)formamide
Also Known As: N-tert-butyl-N-(3-nitrophenyl)formamide, starbld0013049, N-(3-nitrophenyl)-N-tert-butyl-formamide
Technical Specifications
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.10045 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.10045 Da |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
| SMILES | CC(C)(C)N(C=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | AZPYAJGRTAUABR-UHFFFAOYSA-N |
Chemical Property Profile of N-tert-butyl-N-(3-nitrophenyl)formamide
Property Insights of N-tert-butyl-N-(3-nitrophenyl)formamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-N-(3-nitrophenyl)formamide. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-N-(3-nitrophenyl)formamide. Following Lipinski's Rule of Five, N-tert-butyl-N-(3-nitrophenyl)formamide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-tert-butyl-N-(3-nitrophenyl)formamide?
The CAS number of N-tert-butyl-N-(3-nitrophenyl)formamide is 121953-58-0.
What is the molecular formula of N-tert-butyl-N-(3-nitrophenyl)formamide?
The molecular formula of N-tert-butyl-N-(3-nitrophenyl)formamide is C11H14N2O3.
What is the molecular weight of N-tert-butyl-N-(3-nitrophenyl)formamide?
The molecular weight of N-tert-butyl-N-(3-nitrophenyl)formamide is 222.10045 g/mol.
Where can I buy N-tert-butyl-N-(3-nitrophenyl)formamide?
You can request a quote for N-tert-butyl-N-(3-nitrophenyl)formamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-tert-butyl-N-(3-nitrophenyl)formamide?
Yes, CoreyChem provides custom synthesis services for N-tert-butyl-N-(3-nitrophenyl)formamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.