3-Butenoic acid, 2-amino-4-(2-aminoethoxy)-, (3E)-

Base Information

• Chemical Name: 3-Butenoic acid, 2-amino-4-(2-aminoethoxy)-, (3E)-
• CAS No.: 49669-74-1
• Molecular Formula: C6H12N2O3
• Molecular Weight: 160.1711
• NSC Number: 234613
• UNII: IYR058XCHA
• DSSTox Substance ID: DTXSID10701874
• Nikkaji Number: J1.091.456F,J434.755B
• Metabolomics Workbench ID: 101532
• ChEMBL ID: CHEMBL1972647
• Mol file: 49669-74-1.mol

Synonyms:69257-01-8;Aviglycine, DL-;DL-aviglycine;3-Butenoic acid, 2-amino-4-(2-aminoethoxy)-, (3E)-;(E)-2-amino-4-(2-aminoethoxy)but-3-enoic acid;UNII-IYR058XCHA;Aminoethoxyvinylglycine DL-form [MI];IYR058XCHA;NSC234613;3-Butenoic acid, 2-amino-4-(2-aminoethoxy)-, (E)-;Aminoethoxyvinyl glycine hydrochloride;NSC-234613;starbld0009808;CHEMBL1972647;DTXSID10701874;2-[2-(2-Aminoethoxy)vinyl]glycine;BDBM50487185;AKOS006228288;2-[(E)-2-(2-Aminoethoxy)ethenyl]glycine;But-3-enoic acid, 2-amino-4-(2-aminoethoxy)-,;(3E)-2-Amino-4-(2-aminoethoxy)-3-butenoic acid;2-amino-4-(2'-aminoethoxy)-trans-3-butenoic acid;Q27280960;2B59278B-25DA-402A-B667-8DC19B9E0DF1

Chemical Property of 3-Butenoic acid, 2-amino-4-(2-aminoethoxy)-, (3E)-

Chemical Property:

• Vapor Pressure: 2.8E-06mmHg at 25°C
• Boiling Point: 363.7°Cat760mmHg
• PKA: 1.50±0.10(Predicted)
• Flash Point: 173.7°C
• PSA: 98.57000
• Density: 1.232g/cm³
• LogP: 0.28790
• XLogP3: -3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 160.08479225
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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