4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(1-piperidinyl)cyclohexyl ester, hydrochloride, trans-(+-)-

Base Information

• Chemical Name: 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(1-piperidinyl)cyclohexyl ester, hydrochloride, trans-(+-)-
• CAS No.: 147528-38-9
• Molecular Formula: C28H31 N O4 . Cl H
• Molecular Weight: 482.017
• DSSTox Substance ID: DTXSID30163738
• Mol file: 147528-38-9.mol

Synonyms:147528-38-9;4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(1-piperidinyl)cyclohexyl ester, hydrochloride, trans-(+-)-;[(1R,2R)-2-piperidin-1-ylcyclohexyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride;4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(1-pipe ridinyl)cyclohexyl ester, hyd;C28-H31-N-O4.Cl-H;DTXSID30163738;YBKSHVOJUMUFDS-BNUOYOMZSA-N;LS-39214

Chemical Property of 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(1-piperidinyl)cyclohexyl ester, hydrochloride, trans-(+-)-

Chemical Property:

• Vapor Pressure: 1.77E-14mmHg at 25°C
• Boiling Point: 602.7°Cat760mmHg
• Flash Point: 318.3°C
• PSA: 59.75000
• Density: g/cm³
• LogP: 6.46220
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 481.2019862
• Heavy Atom Count: 34
• Complexity: 749

Purity/Quality:

4H-1-BENZOPYRAN-8-CARBOXYLIC ACID, 3-METHYL-4-OXO-2-PHENYL-, 2-(1-PIPE RIDINYL)CYCLOHEXYL ESTER, HYDROCHLORIDE, TRANS-(+-)- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OC3CCCCC3N4CCCCC4)C5=CC=CC=C5.Cl
• Isomeric SMILES: CC1=C(OC2=C(C1=O)C=CC=C2C(=O)O[C@@H]3CCCC[C@H]3N4CCCCC4)C5=CC=CC=C5.Cl