alpha-Cyano-4-hydroxycinnamic acid Butylamine salt

Base Information

• Chemical Name: alpha-Cyano-4-hydroxycinnamic acid Butylamine salt
• CAS No.: 355011-53-9
• Molecular Formula: C10H7NO3.C4H11N
• Molecular Weight: 262.307
• European Community (EC) Number: 625-660-2
• ChEMBL ID: CHEMBL1889713
• Mol file: 355011-53-9.mol

Synonyms:355011-53-9;alpha-Cyano-4-hydroxycinnamic acid Butylamine salt;ALPHA-CYANO-4-HYDROXYCINNAMIC ACID BUTYL;butan-1-amine;(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoic acid;MLS002695980;SCHEMBL1053447;CHEMBL1889713;GEO-03790;MFCD06201010;AKOS040768719;SMR001562130;alpha -Cyano-4-hydroxycinnamic acid butylamine salt

Chemical Property of alpha-Cyano-4-hydroxycinnamic acid Butylamine salt

Chemical Property:

• Vapor Pressure: 4.29E-09mmHg at 25°C
• Melting Point: ~170 °C (dec.)
• Boiling Point: 455.6°C at 760 mmHg
• Flash Point: 229.4°C
• PSA: 107.34000
• LogP: 2.82928
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 262.13174244
• Heavy Atom Count: 19
• Complexity: 305

Purity/Quality:

ALPHA-CYANO-4-HYDROXYCINNAMIC ACID BUTYLAMINE SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN.C1=CC(=CC=C1C=C(C#N)C(=O)O)O
• Isomeric SMILES: CCCCN.C1=CC(=CC=C1/C=C(\C#N)/C(=O)O)O