4-(Dimethylamino)-3-nitrobenzaldehyde
TL;DR: 4-(Dimethylamino)-3-nitrobenzaldehyde (CAS 6039-31-2) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-3-nitrobenzaldehyde
Also Known As: 4-(dimethylamino)-3-nitrobenzaldehyde, 4-dimethylamino-3-nitro-benzaldehyde, 4-(Dimethylamino)-3-nitrobenzenecarbaldehyde, 3-Nitro-4-dimethylamino-benzaldehyd, 3-Nitro-4-dimethylaminobenzaldehyd
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 6039-31-2 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)C=O)[N+](=O)[O-] |
| InChIKey | BMMZDXZYHYBOOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Dimethylamino)-3-nitrobenzaldehyde (CAS 6039-31-2), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: 4-(dimethylamino)-3-nitrobenzaldehyde.
Chemical Property Profile of 4-(Dimethylamino)-3-nitrobenzaldehyde
Property Insights of 4-(Dimethylamino)-3-nitrobenzaldehyde
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Dimethylamino)-3-nitrobenzaldehyde. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Dimethylamino)-3-nitrobenzaldehyde. Following Lipinski's Rule of Five, 4-(Dimethylamino)-3-nitrobenzaldehyde has 0 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-(Dimethylamino)-3-nitrobenzaldehyde?
The CAS number of 4-(Dimethylamino)-3-nitrobenzaldehyde is 6039-31-2.
What is the molecular formula of 4-(Dimethylamino)-3-nitrobenzaldehyde?
The molecular formula of 4-(Dimethylamino)-3-nitrobenzaldehyde is C9H10N2O3.
What is the molecular weight of 4-(Dimethylamino)-3-nitrobenzaldehyde?
The molecular weight of 4-(Dimethylamino)-3-nitrobenzaldehyde is 194.07 g/mol.
Where can I buy 4-(Dimethylamino)-3-nitrobenzaldehyde?
You can request a quote for 4-(Dimethylamino)-3-nitrobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylamino)-3-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)-3-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.