beta-Aminopropionitrile fumarate

Base Information

• Chemical Name: beta-Aminopropionitrile fumarate
• CAS No.: 1119-28-4
• Molecular Formula: C₃H₆N₂*C₄H₄O₄
• Molecular Weight: 186.167
• European Community (EC) Number: 206-527-4
• UNII: R5PA45870J
• Wikidata: Q27287829
• ChEMBL ID: CHEMBL1255942
• Mol file: 1119-28-4.mol

Synonyms:BAPN fumarate;beta-aminopropionitrile fumarate;beta-aminopropionitrile fumarate (1:1);beta-aminopropionitrile fumarate (2:1);beta-aminopropionitryl-fumarate

Chemical Property of beta-Aminopropionitrile fumarate

Chemical Property:

• Vapor Pressure: 5.19E-06mmHg at 25°C
• PSA: 0.00000
• LogP: 0.00000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 186.06405680
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C(CN)C#N.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C(CN)C#N.C(=C/C(=O)O)\C(=O)O

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