Acetic acid, (4-chlorophenoxy)-, 2-(hexahydro-4-(1-methylethyl)-1H-1,4-diazepin-1-yl)ethyl ester, (Z)-2-butenedioate (1:1)

Base Information

• Chemical Name: Acetic acid, (4-chlorophenoxy)-, 2-(hexahydro-4-(1-methylethyl)-1H-1,4-diazepin-1-yl)ethyl ester, (Z)-2-butenedioate (1:1)
• CAS No.: 87589-86-4
• Molecular Formula: C22H31ClN2O7
• Molecular Weight: 470.9437

Synonyms:87589-86-4;Acetic acid, (4-chlorophenoxy)-, 2-(hexahydro-4-(1-methylethyl)-1H-1,4-diazepin-1-yl)ethyl ester, (Z)-2-butenedioate (1:1)

Chemical Property of Acetic acid, (4-chlorophenoxy)-, 2-(hexahydro-4-(1-methylethyl)-1H-1,4-diazepin-1-yl)ethyl ester, (Z)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 1.92E-08mmHg at 25°C
• Boiling Point: 454.4°C at 760 mmHg
• Flash Point: 228.6°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 470.1819790
• Heavy Atom Count: 32
• Complexity: 481

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)[NH+]1CCC[NH+](CC1)CCOC(=O)COC2=CC=C(C=C2)Cl.C(=CC(=O)[O-])C(=O)[O-]
• Isomeric SMILES: CC(C)[NH+]1CCC[NH+](CC1)CCOC(=O)COC2=CC=C(C=C2)Cl.C(=C\C(=O)[O-])\C(=O)[O-]

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