4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester

Base Information

• Chemical Name: 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester
• CAS No.: 153235-96-2
• Molecular Formula: C18H26 N2 O2
• Molecular Weight: 302.41
• DSSTox Substance ID: DTXSID70934707
• Nikkaji Number: J562.428B
• Mol file: 153235-96-2.mol

Synonyms:4-amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester;ACHCA-OPhBu;trans-4-amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester

Chemical Property of 4-Amidinocyclohexanecarboxylic acid 4-tert-butylphenyl ester

Chemical Property:

• Vapor Pressure: 1.78E-07mmHg at 25°C
• Boiling Point: 426.4°Cat760mmHg
• Flash Point: 211.7°C
• PSA: 76.17000
• Density: 1.13g/cm³
• LogP: 4.43190
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 302.199428076
• Heavy Atom Count: 22
• Complexity: 398

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCC(CC2)C(=N)N