2,2'-(Prop-2-en-1-ylimino)diacetonitrile
TL;DR: 2,2'-(Prop-2-en-1-ylimino)diacetonitrile (CAS 20488-28-2) is a chemical compound with molecular formula C7H9N3 and molecular weight 135.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[cyanomethyl(prop-2-enyl)amino]acetonitrile
Also Known As: N-Allyliminodiacetonitril, NCIOpen2_000982, 2,2'-(prop-2-en-1-ylimino)diacetonitrile, 2-[cyanomethyl(prop-2-enyl)amino]acetonitrile, Acetonitrile,2,2'-(2-propen-1-ylimino)bis-
| Molecular Formula | C7H9N3 |
|---|---|
| Molecular Weight | 135.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 135.07965 |
| Heavy Atoms | 10 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 20488-28-2 |
|---|---|
| SMILES | C=CCN(CC#N)CC#N |
| InChIKey | ZVJOYOMFDBLYNG-UHFFFAOYSA-N |
Product Overview
2,2'-(Prop-2-en-1-ylimino)diacetonitrile (CAS 20488-28-2), with molecular formula C7H9N3 and molecular weight 135.08 g/mol. IUPAC: 2-[cyanomethyl(prop-2-enyl)amino]acetonitrile.
Chemical Property Profile of 2,2'-(Prop-2-en-1-ylimino)diacetonitrile
Property Insights of 2,2'-(Prop-2-en-1-ylimino)diacetonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(Prop-2-en-1-ylimino)diacetonitrile. With a topological polar surface area (TPSA) of 50.8 Ų, 2,2'-(Prop-2-en-1-ylimino)diacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2'-(Prop-2-en-1-ylimino)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'-(Prop-2-en-1-ylimino)diacetonitrile?
The CAS number of 2,2'-(Prop-2-en-1-ylimino)diacetonitrile is 20488-28-2.
What is the molecular formula of 2,2'-(Prop-2-en-1-ylimino)diacetonitrile?
The molecular formula of 2,2'-(Prop-2-en-1-ylimino)diacetonitrile is C7H9N3.
What is the molecular weight of 2,2'-(Prop-2-en-1-ylimino)diacetonitrile?
The molecular weight of 2,2'-(Prop-2-en-1-ylimino)diacetonitrile is 135.08 g/mol.
Where can I buy 2,2'-(Prop-2-en-1-ylimino)diacetonitrile?
You can request a quote for 2,2'-(Prop-2-en-1-ylimino)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'-(Prop-2-en-1-ylimino)diacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(Prop-2-en-1-ylimino)diacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.