4-nitro-N1-(propan-2-yl)benzene-1,2-diamine
TL;DR: 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine (CAS 56136-70-0) is a chemical compound with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1-N-propan-2-ylbenzene-1,2-diamine
Also Known As: 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine, 4-nitro-1-N-propan-2-ylbenzene-1,2-diamine, N1-isopropyl-4-nitrobenzene-1,2-diamine, N(1)-isopropyl-4-nitrobenzene-1,2-diamine, 4-nitro-N-propan-2-yl-benzene-1,2-diamine
| Molecular Formula | C9H13N3O2 |
|---|---|
| Molecular Weight | 195.10 g/mol |
| LogP | 1.9973 |
| Topological Polar Surface Area | 81.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.10077 |
| Heavy Atoms | 14 |
| Complexity | 349.91034 |
Chemical Identifiers
| CAS Number | 56136-70-0 |
|---|---|
| SMILES | CC(C)NC1=C(C=C(C=C1)[N+](=O)[O-])N |
Product Overview
4-nitro-N1-(propan-2-yl)benzene-1,2-diamine (CAS 56136-70-0), with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol. IUPAC: 4-nitro-1-N-propan-2-ylbenzene-1,2-diamine.
Chemical Property Profile of 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine
Property Insights of 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine
The XLogP value of 1.9973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine. The TPSA of 81.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine. Following Lipinski's Rule of Five, 4-nitro-N1-(propan-2-yl)benzene-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 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine?
The CAS number of 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine is 56136-70-0.
What is the molecular formula of 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine?
The molecular formula of 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine is C9H13N3O2.
What is the molecular weight of 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine?
The molecular weight of 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine is 195.10 g/mol.
Where can I buy 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine?
You can request a quote for 4-nitro-N1-(propan-2-yl)benzene-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 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N1-(propan-2-yl)benzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.