Methyleneaminoacetonitrile trimer
TL;DR: Methyleneaminoacetonitrile trimer (CAS 6865-92-5) is a chemical compound with molecular formula C9H12N6 and molecular weight 204.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(cyanomethyl)-1,3,5-triazinan-1-yl]acetonitrile
Also Known As: Methyleneaminoacetonitrile trimer, N-Methyleneglycinonitrile trimer, 1,3,5-Tris(cyanomethyl)hexahydro-s-triazine, Acetonitrile, (methyleneamino)-, trimer, (methyleneamino)-acetonitriltrimer
| Molecular Formula | C9H12N6 |
|---|---|
| Molecular Weight | 204.11 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.11235 |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 6865-92-5 |
|---|---|
| SMILES | C1N(CN(CN1CC#N)CC#N)CC#N |
| InChIKey | CTTRIWVSECLRDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyleneaminoacetonitrile trimer (CAS 6865-92-5), with molecular formula C9H12N6 and molecular weight 204.11 g/mol. IUPAC: 2-[3,5-bis(cyanomethyl)-1,3,5-triazinan-1-yl]acetonitrile.
Chemical Property Profile of Methyleneaminoacetonitrile trimer
Property Insights of Methyleneaminoacetonitrile trimer
The XLogP value of -0.2 indicates that Methyleneaminoacetonitrile trimer is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyleneaminoacetonitrile trimer. Following Lipinski's Rule of Five, Methyleneaminoacetonitrile trimer has 0 hydrogen bond donor(s) and 6 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 Methyleneaminoacetonitrile trimer?
The CAS number of Methyleneaminoacetonitrile trimer is 6865-92-5.
What is the molecular formula of Methyleneaminoacetonitrile trimer?
The molecular formula of Methyleneaminoacetonitrile trimer is C9H12N6.
What is the molecular weight of Methyleneaminoacetonitrile trimer?
The molecular weight of Methyleneaminoacetonitrile trimer is 204.11 g/mol.
Where can I buy Methyleneaminoacetonitrile trimer?
You can request a quote for Methyleneaminoacetonitrile trimer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyleneaminoacetonitrile trimer?
Yes, KEHONG BIO provides custom synthesis services for Methyleneaminoacetonitrile trimer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.