N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine
TL;DR: N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine (CAS 123901-35-9) is a chemical compound with molecular formula C10H16N4O2 and molecular weight 224.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-(4-aminobutyl)-4-nitrobenzene-1,3-diamine
Also Known As: (4-aminobutyl)(3-amino-4-nitrophenyl)amine, 1-N-(4-aminobutyl)-4-nitrobenzene-1,3-diamine, N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine, N~1~-(4-aminobutyl)-4-nitro-1,3-benzenediamine, A1090/0051167
| Molecular Formula | C10H16N4O2 |
|---|---|
| Molecular Weight | 224.13 g/mol |
| LogP | 1.3278 |
| Topological Polar Surface Area | 107.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.12732 |
| Heavy Atoms | 16 |
| Complexity | 367.8367 |
Chemical Identifiers
| CAS Number | 123901-35-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1NCCCCN)N)[N+](=O)[O-] |
Product Overview
N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine (CAS 123901-35-9), with molecular formula C10H16N4O2 and molecular weight 224.13 g/mol. IUPAC: 1-N-(4-aminobutyl)-4-nitrobenzene-1,3-diamine.
Chemical Property Profile of N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine
Property Insights of N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine
The XLogP value of 1.3278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine. The TPSA of 107.21 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine. Following Lipinski's Rule of Five, N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine has 3 hydrogen bond donor(s) and 5 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~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine?
The CAS number of N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine is 123901-35-9.
What is the molecular formula of N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine?
The molecular formula of N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine is C10H16N4O2.
What is the molecular weight of N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine?
The molecular weight of N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine is 224.13 g/mol.
Where can I buy N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine?
You can request a quote for N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~-(4-aminobutyl)-4-nitrobenzene-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.