(1S)-1-(4-Nitrophenyl)ethan-1-amine
TL;DR: (1S)-1-(4-Nitrophenyl)ethan-1-amine (CAS 22038-87-5) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-(4-nitrophenyl)ethanamine
Also Known As: (S)-1-(4-nitrophenyl)ethanamine, (S)-4-Nitro-alpha-methylbenzylamine, (1S)-1-(4-nitrophenyl)ethanamine, (1S)-1-(4-nitrophenyl)ethan-1-amine, (S)-alpha-methyl-4-nitrobenzylamine
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 1.6145 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 279.61426 |
Chemical Identifiers
| CAS Number | 22038-87-5 |
|---|---|
| SMILES | C[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])N |
Product Overview
(1S)-1-(4-Nitrophenyl)ethan-1-amine (CAS 22038-87-5), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: (1S)-1-(4-nitrophenyl)ethanamine.
Chemical Property Profile of (1S)-1-(4-Nitrophenyl)ethan-1-amine
Property Insights of (1S)-1-(4-Nitrophenyl)ethan-1-amine
The XLogP value of 1.6145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S)-1-(4-Nitrophenyl)ethan-1-amine. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S)-1-(4-Nitrophenyl)ethan-1-amine. Following Lipinski's Rule of Five, (1S)-1-(4-Nitrophenyl)ethan-1-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
Frequently Asked Questions
What is the CAS number of (1S)-1-(4-Nitrophenyl)ethan-1-amine?
The CAS number of (1S)-1-(4-Nitrophenyl)ethan-1-amine is 22038-87-5.
What is the molecular formula of (1S)-1-(4-Nitrophenyl)ethan-1-amine?
The molecular formula of (1S)-1-(4-Nitrophenyl)ethan-1-amine is C8H10N2O2.
What is the molecular weight of (1S)-1-(4-Nitrophenyl)ethan-1-amine?
The molecular weight of (1S)-1-(4-Nitrophenyl)ethan-1-amine is 166.07 g/mol.
Where can I buy (1S)-1-(4-Nitrophenyl)ethan-1-amine?
You can request a quote for (1S)-1-(4-Nitrophenyl)ethan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S)-1-(4-Nitrophenyl)ethan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for (1S)-1-(4-Nitrophenyl)ethan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.