Bis(3-aminopropiononitrile) fumarate

Base Information

• Chemical Name: Bis(3-aminopropiononitrile) fumarate
• CAS No.: 2079-89-2
• Deprecated CAS: 1202867-06-8,1218900-68-5
• Molecular Formula: C3H6N2•2 C4H4O4
• Molecular Weight: 302.27
• Hs Code.: 29269095
• European Community (EC) Number: 218-208-7
• UNII: 1O0893POYK
• Wikidata: Q27163052
• ChEMBL ID: CHEMBL1315165
• Mol file: 2079-89-2.mol

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

Chemical Property of Bis(3-aminopropiononitrile) fumarate

Chemical Property:

• Appearance/Colour: WHITE CRYSTALLINE POWDER
• Vapor Pressure: 5.19E-06mmHg at 25°C
• Melting Point: 177 °C (dec.)(lit.)
• Boiling Point: 355.5°Cat760mmHg
• Flash Point: 183°C
• PSA: 124.41000
• Density: g/cm³
• LogP: 0.27088
• Storage Temp.: -20°C
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 256.11715500
• Heavy Atom Count: 18
• Complexity: 168

Purity/Quality:

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

3-AminopropionitrileFumarate(2:1) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 61
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN)C#N.C(CN)C#N.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C(CN)C#N.C(CN)C#N.C(=C/C(=O)O)\C(=O)O
• Uses: 3-Aminopropionitrile fumarate salt has been used as a lysyl oxidase (LOX) inhibitor:to inhibit collagen cross-linking during microtissue formation and culturein LIM domain only 1 (LMO1)- or vector-expressing BE2C neuroblastoma cell line in transwell migration and invasion assayin lysyl oxidase (LOX) activity assayto study requirement of LOX activity for inducing hypoxia-inducible factor (HIF)2A-dependent stiffness in mouse organoids