N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine
TL;DR: N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine (CAS 721896-94-2) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-1-[1-(4-nitrophenyl)pyrrol-2-yl]methanamine
Also Known As: N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine, N-methyl-1-[1-(4-nitrophenyl)pyrrol-2-yl]methanamine, N-Methyl-N-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methyl}amine, N-[[1-(4-nitrophenyl)pyrrol-2-yl]methyl]methanamine
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 2.1049 |
| Topological Polar Surface Area | 60.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 516.80194 |
Chemical Identifiers
| CAS Number | 721896-94-2 |
|---|---|
| SMILES | CNCC1=CC=CN1C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine (CAS 721896-94-2), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: N-methyl-1-[1-(4-nitrophenyl)pyrrol-2-yl]methanamine.
Chemical Property Profile of N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine
Property Insights of N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine
The XLogP value of 2.1049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine. The TPSA of 60.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine. Following Lipinski's Rule of Five, N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine 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 N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine?
The CAS number of N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine is 721896-94-2.
What is the molecular formula of N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine?
The molecular formula of N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine is C12H13N3O2.
What is the molecular weight of N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine?
The molecular weight of N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine is 231.10 g/mol.
Where can I buy N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine?
You can request a quote for N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-1-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.