ethyl N-(5-chloro-3-(4-(diethylamino)-2-methylphenylimino)-4-methyl-6-oxo-1,4-cyclohexadienyl)carbamate

Base Information

• Chemical Name: ethyl N-(5-chloro-3-(4-(diethylamino)-2-methylphenylimino)-4-methyl-6-oxo-1,4-cyclohexadienyl)carbamate
• CAS No.: 125630-94-6
• Molecular Formula: C21H26 Cl N3 O3
• Molecular Weight: 417.929
• European Community (EC) Number: 414-820-5
• Mol file: 125630-94-6.mol

Synonyms:EC 414-820-5;125630-94-6;ethyl N-(5-chloro-3-(4-(diethylamino)-2-methylphenylimino)-4-methyl-6-oxo-1,4-cyclohexadienyl)carbamate;ethyl N-[(3S)-5-chloro-3-[[4-(diethylamino)-2-methylphenyl]iminomethyl]-4-methyl-6-oxocyclohexa-1,4-dien-1-yl]carbamate;Carbamic acid, (5-chloro-3-((4-(diethylamino)-2-methylphenyl)imino)-4-methyl-6-oxo-1,4-cyclohexadien-1-yl)-, ethyl ester;Carbamic acid, N-(5-chloro-3-((4-(diethylamino)-2-methylphenyl)imino)-4-methyl-6-oxo-1,4-cyclohexadien-1-yl)-, ethyl ester;Carbamic acid, [5-chloro-3-[[4-(diethylamino)-2-methylphenyl]imino]-4-methyl-6-oxo-1,4-cyclohexadien-1-yl]-, ethyl ester

Chemical Property of ethyl N-(5-chloro-3-(4-(diethylamino)-2-methylphenylimino)-4-methyl-6-oxo-1,4-cyclohexadienyl)carbamate

Chemical Property:

• Vapor Pressure: 2.92E-14mmHg at 25°C
• Boiling Point: 598°Cat760mmHg
• Flash Point: 315.4°C
• PSA: 74.49000
• Density: 1.17g/cm³
• LogP: 5.08960
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 417.1819195
• Heavy Atom Count: 29
• Complexity: 697

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC(=C(C=C1)N=CC2C=C(C(=O)C(=C2C)Cl)NC(=O)OCC)C
• Isomeric SMILES: CCN(CC)C1=CC(=C(C=C1)N=C[C@H]2C=C(C(=O)C(=C2C)Cl)NC(=O)OCC)C