3-amino-4-[(2,5-dimethylphenyl)amino]-1H-isochromen-1-one

Base Information

• Chemical Name: 3-amino-4-[(2,5-dimethylphenyl)amino]-1H-isochromen-1-one
• CAS No.: 374064-00-3
• Molecular Formula: C9H14ClN3O
• Molecular Weight: 215.68
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30958500
• Wikidata: Q82939004
• Mol file: 374064-00-3.mol

Synonyms:DTXSID30958500;STL217703;AKOS015860396;CCG-313819;3-Amino-4-(2,5-dimethylanilino)-1H-2-benzopyran-1-one;3-amino-4-[(2,5-dimethylphenyl)amino]-1H-isochromen-1-one

Chemical Property of 3-amino-4-[(2,5-dimethylphenyl)amino]-1H-isochromen-1-one

Chemical Property:

• Vapor Pressure: 1.31E-06mmHg at 25°C
• Boiling Point: 384.8 °C at 760 mmHg
• Flash Point: 186.5 °C
• PSA: 71.50000
• LogP: 2.50110
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 280.121177757
• Heavy Atom Count: 21
• Complexity: 446

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-Amino-1-pyridin-2-ylbutan-1-one oxime hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)NC2=C(OC(=O)C3=CC=CC=C32)N