Indole, 3-((dimethylamino)methyl)-7-nitro-
TL;DR: Indole, 3-((dimethylamino)methyl)-7-nitro- (CAS 1654-34-8) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-1-(7-nitro-1H-indol-3-yl)methanamine
Also Known As: 7-Nitrogramine, 7-Nitro-gramin, 3-(Dimethylamino)-7-nitro-1H-indole, N,N-dimethyl-1-(7-nitro-1H-indol-3-yl)methanamine, INDOLE, 3-((DIMETHYLAMINO)METHYL)-7-NITRO-
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 1654-34-8 |
|---|---|
| SMILES | CN(C)CC1=CNC2=C1C=CC=C2[N+](=O)[O-] |
| InChIKey | YLVPUBNLOINGDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indole, 3-((dimethylamino)methyl)-7-nitro- (CAS 1654-34-8), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: N,N-dimethyl-1-(7-nitro-1H-indol-3-yl)methanamine.
Chemical Property Profile of Indole, 3-((dimethylamino)methyl)-7-nitro-
Property Insights of Indole, 3-((dimethylamino)methyl)-7-nitro-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole, 3-((dimethylamino)methyl)-7-nitro-. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole, 3-((dimethylamino)methyl)-7-nitro-. Following Lipinski's Rule of Five, Indole, 3-((dimethylamino)methyl)-7-nitro- has 1 hydrogen bond donor(s) and 3 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 Indole, 3-((dimethylamino)methyl)-7-nitro-?
The CAS number of Indole, 3-((dimethylamino)methyl)-7-nitro- is 1654-34-8.
What is the molecular formula of Indole, 3-((dimethylamino)methyl)-7-nitro-?
The molecular formula of Indole, 3-((dimethylamino)methyl)-7-nitro- is C11H13N3O2.
What is the molecular weight of Indole, 3-((dimethylamino)methyl)-7-nitro-?
The molecular weight of Indole, 3-((dimethylamino)methyl)-7-nitro- is 219.10 g/mol.
Where can I buy Indole, 3-((dimethylamino)methyl)-7-nitro-?
You can request a quote for Indole, 3-((dimethylamino)methyl)-7-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 3-((dimethylamino)methyl)-7-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Indole, 3-((dimethylamino)methyl)-7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.