1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)-
TL;DR: 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)- (CAS 55667-52-2) is a chemical compound with molecular formula C12H19N3O2 and molecular weight 237.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,2-trimethyl-N'-(4-nitrophenyl)propane-1,3-diamine
Also Known As: n,n,2-trimethyl-n'-1,3-propanediamine, N,N,2-Trimethyl-N'- -1,3-propanediamine, 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)-, N-[3-(dimethylamino)-2-methylpropyl]-4-nitroaniline, N,N,2-trimethyl-N'-(4-nitrophenyl)propane-1,3-diamine
| Molecular Formula | C12H19N3O2 |
|---|---|
| Molecular Weight | 237.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.14772 |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 55667-52-2 |
|---|---|
| SMILES | CC(CNC1=CC=C(C=C1)[N+](=O)[O-])CN(C)C |
| InChIKey | DQHVXQUJVZUYKF-UHFFFAOYSA-N |
Product Overview
1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)- (CAS 55667-52-2), with molecular formula C12H19N3O2 and molecular weight 237.15 g/mol. IUPAC: N,N,2-trimethyl-N'-(4-nitrophenyl)propane-1,3-diamine.
Chemical Property Profile of 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)-
Property Insights of 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)-. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)- has 1 hydrogen bond donor(s) and 4 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, N,N,2-trimethyl-N'-(4-nitrophenyl)-?
The CAS number of 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)- is 55667-52-2.
What is the molecular formula of 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)-?
The molecular formula of 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)- is C12H19N3O2.
What is the molecular weight of 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)-?
The molecular weight of 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)- is 237.15 g/mol.
Where can I buy 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)-?
You can request a quote for 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-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, N,N,2-trimethyl-N'-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N,N,2-trimethyl-N'-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.