ethyl (Z)-3-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)methylamino]but-2-enoate

Base Information

• Chemical Name: ethyl (Z)-3-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)methylamino]but-2-enoate
• CAS No.: 80626-07-9
• Molecular Formula: C17H24 Cl N O3
• Molecular Weight: 325.83036
• Mol file: 80626-07-9.mol

Synonyms:ethyl-beta((5-tert-butyl-3-chloro-2-hydroxy)benzylamino)crotonate;ITA 529;ITA-529

Chemical Property of ethyl (Z)-3-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)methylamino]but-2-enoate

Chemical Property:

• Vapor Pressure: 6.29E-08mmHg at 25°C
• Boiling Point: 428°C at 760 mmHg
• Flash Point: 212.6°C
• PSA: 58.56000
• Density: 1.133g/cm³
• LogP: 4.29050
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 325.1444713
• Heavy Atom Count: 22
• Complexity: 403

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C(C)NCC1=C(C(=CC(=C1)C(C)(C)C)Cl)O
• Isomeric SMILES: CCOC(=O)/C=C(/C)\NCC1=C(C(=CC(=C1)C(C)(C)C)Cl)O