(Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1)
TL;DR: (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1) (CAS 104494-35-1) is a chemical compound with molecular formula C7H8N6O and molecular weight 192.07596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxyiminopropanedinitrile;5-imino-3,4-dihydropyrrol-2-amine
Also Known As: KST-1A0428, (hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1), 2-hydroxyiminopropanedinitrile; 5-imino-3,4-dihydropyrrol-2-amine, 2-hydroxyiminopropanedinitrile,5-imino-3,4-dihydropyrrol-2-amine, Carbonyl cyanide, salt with 2-imino-3,4-dihydro-2H-pyrrol-5-amine
Technical Specifications
| Molecular Formula | C7H8N6O |
| Molecular Weight | 192.07596 g/mol |
| XLogP | -0.02157 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.07596 Da |
| Heavy Atoms | 14 |
| Complexity | 282.0 |
| SMILES | C1CC(=N)N=C1N.C(#N)C(=NO)C#N |
| InChIKey | UHPDWJPBLNVJSF-UHFFFAOYSA-N |
Chemical Property Profile of (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1)
Property Insights of (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1)
The XLogP value of -0.02157 indicates that (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1) has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1)?
The CAS number of (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1) is 104494-35-1.
What is the molecular formula of (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1)?
The molecular formula of (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1) is C7H8N6O.
What is the molecular weight of (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1)?
The molecular weight of (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1) is 192.07596 g/mol.
Where can I buy (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1)?
You can request a quote for (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1)?
Yes, CoreyChem provides custom synthesis services for (Hydroxyimino)propanedinitrile-(2e)-2-imino-3,4-dihydro-2h-pyrrol-5-amine(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.