3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine
TL;DR: 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine (CAS 121245-72-5) is a chemical compound with molecular formula C13H21N3O2 and molecular weight 251.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-6-nitro-1-N-pentan-3-ylbenzene-1,2-diamine
Also Known As: 2-Amino-6-nitro-N-1-ethylpropyl-3,4-xylidine, 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine, 3,4-dimethyl-6-nitro-N-pentan-3-yl-benzene-1,2-diamine, N-(1-ethylpropyl)-2-amino-6-nitro-3,4-xylidine, 3,4-dimethyl-6-nitro-1-N-pentan-3-ylbenzene-1,2-diamine
| Molecular Formula | C13H21N3O2 |
|---|---|
| Molecular Weight | 251.16 g/mol |
| LogP | 3.39434 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.16338 |
| Heavy Atoms | 18 |
| Complexity | 454.03986 |
Chemical Identifiers
| CAS Number | 121245-72-5 |
|---|---|
| SMILES | CCC(CC)NC1=C(C=C(C(=C1N)C)C)[N+](=O)[O-] |
Product Overview
3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine (CAS 121245-72-5), with molecular formula C13H21N3O2 and molecular weight 251.16 g/mol. IUPAC: 3,4-dimethyl-6-nitro-1-N-pentan-3-ylbenzene-1,2-diamine.
Chemical Property Profile of 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine
Property Insights of 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine
The XLogP value of 3.39434 indicates that 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine. Following Lipinski's Rule of Five, 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine 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 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine?
The CAS number of 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine is 121245-72-5.
What is the molecular formula of 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine?
The molecular formula of 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine is C13H21N3O2.
What is the molecular weight of 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine?
The molecular weight of 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine is 251.16 g/mol.
Where can I buy 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine?
You can request a quote for 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-6-nitro-1-N-3-pentylbenzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.