4-Nitro-N-2-propen-1-ylbenzenemethanamine
TL;DR: 4-Nitro-N-2-propen-1-ylbenzenemethanamine (CAS 104245-84-3) is a chemical compound with molecular formula C10H12N2O2 and molecular weight 192.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4-nitrophenyl)methyl]prop-2-en-1-amine
Also Known As: N-Allyl-4-nitrobenzenemethanamine, N-[(4-nitrophenyl)methyl]prop-2-en-1-amine, 4-Nitro-N-2-propen-1-ylbenzenemethanamine, J1.397.113G, [(4-NITROPHENYL)METHYL](PROP-2-EN-1-YL)AMINE
Technical Specifications
| Molecular Formula | C10H12N2O2 |
| Molecular Weight | 192.08987 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.08987 Da |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
| SMILES | C=CCNCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | GZPIZQIYGKDWGD-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitro-N-2-propen-1-ylbenzenemethanamine
Property Insights of 4-Nitro-N-2-propen-1-ylbenzenemethanamine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-N-2-propen-1-ylbenzenemethanamine. With a topological polar surface area (TPSA) of 57.9 Ų, 4-Nitro-N-2-propen-1-ylbenzenemethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitro-N-2-propen-1-ylbenzenemethanamine 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 4-Nitro-N-2-propen-1-ylbenzenemethanamine?
The CAS number of 4-Nitro-N-2-propen-1-ylbenzenemethanamine is 104245-84-3.
What is the molecular formula of 4-Nitro-N-2-propen-1-ylbenzenemethanamine?
The molecular formula of 4-Nitro-N-2-propen-1-ylbenzenemethanamine is C10H12N2O2.
What is the molecular weight of 4-Nitro-N-2-propen-1-ylbenzenemethanamine?
The molecular weight of 4-Nitro-N-2-propen-1-ylbenzenemethanamine is 192.08987 g/mol.
Where can I buy 4-Nitro-N-2-propen-1-ylbenzenemethanamine?
You can request a quote for 4-Nitro-N-2-propen-1-ylbenzenemethanamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitro-N-2-propen-1-ylbenzenemethanamine?
Yes, CoreyChem provides custom synthesis services for 4-Nitro-N-2-propen-1-ylbenzenemethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.