3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine
TL;DR: 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine (CAS 92585-03-0) is a chemical compound with molecular formula C13H21N5O4 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[3-(2,4-dinitroanilino)propyl]-N'-methylpropane-1,3-diamine
Also Known As: Dnaamp, DAMP methylamine compound, N-(3-((2,4-Dinitrophenyl)amino)propyl)-N-(3-aminopropyl)methylamine, N'-[3-(2,4-dinitroanilino)propyl]-N'-methylpropane-1,3-diamine, 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine
| Molecular Formula | C13H21N5O4 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 311.15936 |
| Heavy Atoms | 22 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 92585-03-0 |
|---|---|
| SMILES | CN(CCCN)CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VVEKAPJMXBKPAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine (CAS 92585-03-0), with molecular formula C13H21N5O4 and molecular weight 311.16 g/mol. IUPAC: N'-[3-(2,4-dinitroanilino)propyl]-N'-methylpropane-1,3-diamine.
Chemical Property Profile of 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine
Property Insights of 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine. Following Lipinski's Rule of Five, 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine has 2 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 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine?
The CAS number of 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine is 92585-03-0.
What is the molecular formula of 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine?
The molecular formula of 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine is C13H21N5O4.
What is the molecular weight of 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine?
The molecular weight of 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine is 311.16 g/mol.
Where can I buy 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine?
You can request a quote for 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-dinitroanilino)-3'-amino-N-methyldipropylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.