(E)-4-Amino-2-butenoic acid

Base Information

• Chemical Name: (E)-4-Amino-2-butenoic acid
• CAS No.: 25747-40-4
• Molecular Formula: C4H7 N O2
• Molecular Weight: 101.1039
• UNII: S2R6R1I2MP
• DSSTox Substance ID: DTXSID8045648
• Nikkaji Number: J21.909F,J88.376J
• Pharos Ligand ID: 1S25U83UWYS1
• ChEMBL ID: CHEMBL33086
• Mol file: 25747-40-4.mol

Synonyms:4-aminocrotonic acid;4-aminocrotonic acid, E;4-aminocrotonic acid, Z;cis-4-aminocrotonic acid;trans-4-aminocrotonic acid

Chemical Property of (E)-4-Amino-2-butenoic acid

Chemical Property:

• Vapor Pressure: 0.000265mmHg at 25°C
• Melting Point: 164 °C (decomp)
• Boiling Point: 300.4°Cat760mmHg
• PKA: 3.65±0.10(Predicted)
• Flash Point: 135.5°C
• PSA: 63.32000
• Density: 1.169g/cm³
• LogP: 0.28620
• XLogP3: -3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 101.047678466
• Heavy Atom Count: 7
• Complexity: 87.7

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C=CC(=O)O)N
• Isomeric SMILES: C(/C=C/C(=O)O)N