![Tert-butyl[(3-nitrophenyl)methyl]amine structure](/static/products/1100/110079-42-0.webp)
Tert-butyl[(3-nitrophenyl)methyl]amine
TL;DR: Tert-butyl[(3-nitrophenyl)methyl]amine (CAS 110079-42-0) is a chemical compound with molecular formula C11H16N2O2 and molecular weight 208.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-N-[(3-nitrophenyl)methyl]propan-2-amine
Also Known As: TERT-BUTYL[(3-NITROPHENYL)METHYL]AMINE, N-tert-Butyl-3-nitrobenzenemethanamine, 2-methyl-N-[(3-nitrophenyl)methyl]propan-2-amine, J2.160.066K, Benzenemethanamine, N-(1,1-dimethylethyl)-3-nitro-
Technical Specifications
| Molecular Formula | C11H16N2O2 |
| Molecular Weight | 208.12119 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.12119 Da |
| Heavy Atoms | 15 |
| Complexity | 218.0 |
| SMILES | CC(C)(C)NCC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | SBNIXZHDUMUUKW-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl[(3-nitrophenyl)methyl]amine
Property Insights of Tert-butyl[(3-nitrophenyl)methyl]amine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl[(3-nitrophenyl)methyl]amine. With a topological polar surface area (TPSA) of 57.9 Ų, Tert-butyl[(3-nitrophenyl)methyl]amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl[(3-nitrophenyl)methyl]amine has 1 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 Tert-butyl[(3-nitrophenyl)methyl]amine?
The CAS number of Tert-butyl[(3-nitrophenyl)methyl]amine is 110079-42-0.
What is the molecular formula of Tert-butyl[(3-nitrophenyl)methyl]amine?
The molecular formula of Tert-butyl[(3-nitrophenyl)methyl]amine is C11H16N2O2.
What is the molecular weight of Tert-butyl[(3-nitrophenyl)methyl]amine?
The molecular weight of Tert-butyl[(3-nitrophenyl)methyl]amine is 208.12119 g/mol.
Where can I buy Tert-butyl[(3-nitrophenyl)methyl]amine?
You can request a quote for Tert-butyl[(3-nitrophenyl)methyl]amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tert-butyl[(3-nitrophenyl)methyl]amine?
Yes, CoreyChem provides custom synthesis services for Tert-butyl[(3-nitrophenyl)methyl]amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.