1-Hydroxy-alpha-phenylcyclohexaneacetic acid (1-methyl-4-piperidyl)methyl ester

Base Information

• Chemical Name: 1-Hydroxy-alpha-phenylcyclohexaneacetic acid (1-methyl-4-piperidyl)methyl ester
• CAS No.: 101564-13-0
• Molecular Formula: C21H31 N O3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20906318
• Nikkaji Number: J75.342D
• Mol file: 101564-13-0.mol

Synonyms:1-Hydroxy-alpha-phenylcyclohexaneacetic acid (1-methyl-4-piperidyl)methyl ester;(1-methylpiperidin-4-yl)methyl 2-(1-hydroxycyclohexyl)-2-phenylacetate;Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, (1-methyl-4-piperidyl)methyl ester;DTXSID20906318;LS-56401;(1-methyl-4-piperidyl)methyl (1-hydroxycyclohexyl)phenylacetate;(1-Methylpiperidin-4-yl)methyl (1-hydroxycyclohexyl)(phenyl)acetate

Chemical Property of 1-Hydroxy-alpha-phenylcyclohexaneacetic acid (1-methyl-4-piperidyl)methyl ester

Chemical Property:

• Vapor Pressure: 2.81E-09mmHg at 25°C
• Boiling Point: 460.6°Cat760mmHg
• Flash Point: 232.3°C
• PSA: 49.77000
• Density: 1.111g/cm³
• LogP: 3.21480
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 345.23039385
• Heavy Atom Count: 25
• Complexity: 419

Purity/Quality:

99%min ^*data from raw suppliers

(1-METHYL-4-PIPERIDYL)METHYL(1-HYDROXYCYCLOHEXYL)PHENYLACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(CC1)COC(=O)C(C2=CC=CC=C2)C3(CCCCC3)O