6-Nitrogramine
TL;DR: 6-Nitrogramine (CAS 6954-87-6) 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-(6-nitro-1H-indol-3-yl)methanamine
Also Known As: 6-Nitrogramine, N,N-dimethyl-1-(6-nitro-1H-indol-3-yl)methanamine, dimethyl[(6-nitro-1H-indol-3-yl)methyl]amine, CBChromo1_000027, NCIOpen2_003507
| 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 | 6954-87-6 |
|---|---|
| SMILES | CN(C)CC1=CNC2=C1C=CC(=C2)[N+](=O)[O-] |
| InChIKey | PMTRDROSYRMMAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitrogramine (CAS 6954-87-6), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: N,N-dimethyl-1-(6-nitro-1H-indol-3-yl)methanamine.
Chemical Property Profile of 6-Nitrogramine
Property Insights of 6-Nitrogramine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitrogramine. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitrogramine. Following Lipinski's Rule of Five, 6-Nitrogramine 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 6-Nitrogramine?
The CAS number of 6-Nitrogramine is 6954-87-6.
What is the molecular formula of 6-Nitrogramine?
The molecular formula of 6-Nitrogramine is C11H13N3O2.
What is the molecular weight of 6-Nitrogramine?
The molecular weight of 6-Nitrogramine is 219.10 g/mol.
Where can I buy 6-Nitrogramine?
You can request a quote for 6-Nitrogramine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitrogramine?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitrogramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.