N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine
TL;DR: N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine (CAS 347311-77-7) is a chemical compound with molecular formula C11H16ClN3O2 and molecular weight 257.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-chloro-4-nitrophenyl)-2,2-dimethylpropane-1,3-diamine
Also Known As: BIM-0002836.P001, N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine, AM-900/14781002, A2389/0101130, N'-(2-chloro-4-nitrophenyl)-2,2-dimethylpropane-1,3-diamine
| Molecular Formula | C11H16ClN3O2 |
|---|---|
| Molecular Weight | 257.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.0931 |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 347311-77-7 |
|---|---|
| SMILES | CC(C)(CN)CNC1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | ILDQSXGELDEVFC-UHFFFAOYSA-N |
Product Overview
N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine (CAS 347311-77-7), with molecular formula C11H16ClN3O2 and molecular weight 257.09 g/mol. IUPAC: N'-(2-chloro-4-nitrophenyl)-2,2-dimethylpropane-1,3-diamine.
Chemical Property Profile of N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine
Property Insights of N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine
The XLogP value of 3.2 indicates that N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine. Following Lipinski's Rule of Five, N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine has 2 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 N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine?
The CAS number of N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine is 347311-77-7.
What is the molecular formula of N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine?
The molecular formula of N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine is C11H16ClN3O2.
What is the molecular weight of N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine?
The molecular weight of N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine is 257.09 g/mol.
Where can I buy N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine?
You can request a quote for N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-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 N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~-(2-chloro-4-nitrophenyl)-2,2-dimethyl-1,3-propanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.