N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine
TL;DR: N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine (CAS 21627-60-1) is a chemical compound with molecular formula C11H17N3O2 and molecular weight 223.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-dimethyl-N-(2-nitrophenyl)propane-1,3-diamine
Also Known As: 2-Pyrrolidinoaniline, N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine, 2-(3-dimethylaminopropylamino)-nitrobenzene, N',N'-dimethyl-N-(2-nitrophenyl)propane-1,3-diamine, N-[3-(DIMETHYLAMINO)PROPYL]-2-NITROANILINE
| Molecular Formula | C11H17N3O2 |
|---|---|
| Molecular Weight | 223.13 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 | 223.13208 |
| Heavy Atoms | 16 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 21627-60-1 |
|---|---|
| SMILES | CN(C)CCCNC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | ZDZJXJSIUMJLQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine (CAS 21627-60-1), with molecular formula C11H17N3O2 and molecular weight 223.13 g/mol. IUPAC: N',N'-dimethyl-N-(2-nitrophenyl)propane-1,3-diamine.
Chemical Property Profile of N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine
Property Insights of N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine. Following Lipinski's Rule of Five, N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine 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 N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine?
The CAS number of N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine is 21627-60-1.
What is the molecular formula of N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine?
The molecular formula of N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine is C11H17N3O2.
What is the molecular weight of N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine?
The molecular weight of N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine is 223.13 g/mol.
Where can I buy N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine?
You can request a quote for N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine?
Yes, KEHONG BIO provides custom synthesis services for N1,N1-Dimethyl-N3-(2-nitrophenyl)-1,3-propanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.