2,2'-(Phenylazanediyl)diacetonitrile
TL;DR: 2,2'-(Phenylazanediyl)diacetonitrile (CAS 86273-74-7) is a chemical compound with molecular formula C10H9N3 and molecular weight 171.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(cyanomethyl)anilino]acetonitrile
Also Known As: 2,2'-(Phenylazanediyl)diacetonitrile, 2,2 -(Phenylimino)bisacetonitrile, 2-[N-(cyanomethyl)anilino]acetonitrile, 2-(CYANOMETHYL-PHENYL-AMINO)ACETONITRILE, J1.780.061B
| Molecular Formula | C10H9N3 |
|---|---|
| Molecular Weight | 171.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.07965 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 86273-74-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CC#N)CC#N |
| InChIKey | HNROKQCMNJEPJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-(Phenylazanediyl)diacetonitrile (CAS 86273-74-7), with molecular formula C10H9N3 and molecular weight 171.08 g/mol. IUPAC: 2-[N-(cyanomethyl)anilino]acetonitrile.
Chemical Property Profile of 2,2'-(Phenylazanediyl)diacetonitrile
Property Insights of 2,2'-(Phenylazanediyl)diacetonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(Phenylazanediyl)diacetonitrile. With a topological polar surface area (TPSA) of 50.8 Ų, 2,2'-(Phenylazanediyl)diacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2'-(Phenylazanediyl)diacetonitrile has 0 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 2,2'-(Phenylazanediyl)diacetonitrile?
The CAS number of 2,2'-(Phenylazanediyl)diacetonitrile is 86273-74-7.
What is the molecular formula of 2,2'-(Phenylazanediyl)diacetonitrile?
The molecular formula of 2,2'-(Phenylazanediyl)diacetonitrile is C10H9N3.
What is the molecular weight of 2,2'-(Phenylazanediyl)diacetonitrile?
The molecular weight of 2,2'-(Phenylazanediyl)diacetonitrile is 171.08 g/mol.
Where can I buy 2,2'-(Phenylazanediyl)diacetonitrile?
You can request a quote for 2,2'-(Phenylazanediyl)diacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(Phenylazanediyl)diacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(Phenylazanediyl)diacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.