2-Ethylideneamino-propionitrile
TL;DR: 2-Ethylideneamino-propionitrile (CAS 68762-11-8) is a chemical compound with molecular formula C5H8N2 and molecular weight 96.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(ethylideneamino)propanenitrile
Also Known As: N-Ethylidenalaninitril, 2-Ethylideneamino-propionitrile, 2-(ethylideneamino)propanenitrile, 2-[(E)-Ethylideneamino]propanenitrile #
| Molecular Formula | C5H8N2 |
|---|---|
| Molecular Weight | 96.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 36.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 96.06875 |
| Heavy Atoms | 7 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 68762-11-8 |
|---|---|
| SMILES | CC=NC(C)C#N |
| InChIKey | MROBOAMASDDHIY-UHFFFAOYSA-N |
Product Overview
2-Ethylideneamino-propionitrile (CAS 68762-11-8), with molecular formula C5H8N2 and molecular weight 96.07 g/mol. IUPAC: 2-(ethylideneamino)propanenitrile.
Chemical Property Profile of 2-Ethylideneamino-propionitrile
Property Insights of 2-Ethylideneamino-propionitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylideneamino-propionitrile. With a topological polar surface area (TPSA) of 36.2 Ų, 2-Ethylideneamino-propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylideneamino-propionitrile has 0 hydrogen bond donor(s) and 2 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-Ethylideneamino-propionitrile?
The CAS number of 2-Ethylideneamino-propionitrile is 68762-11-8.
What is the molecular formula of 2-Ethylideneamino-propionitrile?
The molecular formula of 2-Ethylideneamino-propionitrile is C5H8N2.
What is the molecular weight of 2-Ethylideneamino-propionitrile?
The molecular weight of 2-Ethylideneamino-propionitrile is 96.07 g/mol.
Where can I buy 2-Ethylideneamino-propionitrile?
You can request a quote for 2-Ethylideneamino-propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylideneamino-propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylideneamino-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.