N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid
TL;DR: N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid (CAS 56400-60-3) is a chemical compound with molecular formula C13H18N2O6 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-(4-nitrophenyl)butan-1-amine;oxalic acid
Also Known As: N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid, n-methyl-4-(4-nitrophenyl)butan-1-amine ethanedioate(1:1), N-methyl-4-(4-nitrophenyl)butan-1-amine, oxalic acid, N-methyl-4-(4-nitrophenyl)butan-1-amine;oxalic acid, Oxalic acid--N-methyl-4-(4-nitrophenyl)butan-1-amine (1/1)
| Molecular Formula | C13H18N2O6 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 1.2925 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.1165 |
| Heavy Atoms | 21 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 56400-60-3 |
|---|---|
| SMILES | CNCCCCC1=CC=C(C=C1)[N+](=O)[O-].C(=O)(C(=O)O)O |
| InChIKey | MLFALUUPOKDPIM-UHFFFAOYSA-N |
Product Overview
N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid (CAS 56400-60-3), with molecular formula C13H18N2O6 and molecular weight 298.12 g/mol. IUPAC: N-methyl-4-(4-nitrophenyl)butan-1-amine;oxalic acid.
Chemical Property Profile of N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid
Property Insights of N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid
The XLogP value of 1.2925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid. Following Lipinski's Rule of Five, N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid has 3 hydrogen bond donor(s) and 7 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-4-(4-nitrophenyl)butan-1-amine; oxalic acid?
The CAS number of N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid is 56400-60-3.
What is the molecular formula of N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid?
The molecular formula of N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid is C13H18N2O6.
What is the molecular weight of N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid?
The molecular weight of N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid is 298.12 g/mol.
Where can I buy N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid?
You can request a quote for N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.