1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)-
TL;DR: 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)- (CAS 68039-17-8) is a chemical compound with molecular formula C13H22N4O2 and molecular weight 266.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-methyl-N'-[3-(2-nitroanilino)propyl]propane-1,3-diamine
Also Known As: 1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-N'-(2-nitrophenyl)-, N-(3-Aminopropyl)-N-methyl-N'-(2-nitrophenyl)propane-1,3-diamine, 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)-, N-(3-Aminopropyl)-N-methyl-N'-(2-nitrophenyl)-1,3-propanediamine, N'-methyl-N'-[3-(2-nitroanilino)propyl]propane-1,3-diamine
| Molecular Formula | C13H22N4O2 |
|---|---|
| Molecular Weight | 266.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 266.1743 |
| Heavy Atoms | 19 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 68039-17-8 |
|---|---|
| SMILES | CN(CCCN)CCCNC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | WRRAOGAZOQEGQE-UHFFFAOYSA-N |
Product Overview
1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)- (CAS 68039-17-8), with molecular formula C13H22N4O2 and molecular weight 266.17 g/mol. IUPAC: N'-methyl-N'-[3-(2-nitroanilino)propyl]propane-1,3-diamine.
Chemical Property Profile of 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)-
Property Insights of 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)-. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)-. Following Lipinski's Rule of Five, 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)- has 2 hydrogen bond donor(s) and 5 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 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)-?
The CAS number of 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)- is 68039-17-8.
What is the molecular formula of 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)-?
The molecular formula of 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)- is C13H22N4O2.
What is the molecular weight of 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)-?
The molecular weight of 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)- is 266.17 g/mol.
Where can I buy 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)-?
You can request a quote for 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-N3-(2-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.