Einecs 255-949-5

Base Information

• Chemical Name: Einecs 255-949-5
• CAS No.: 42808-11-7
• Molecular Formula: C23H33N3O4S
• Molecular Weight: 447.5908
• European Community (EC) Number: 255-949-5
• DSSTox Substance ID: DTXSID90962709
• Mol file: 42808-11-7.mol

Synonyms:EINECS 255-949-5;42808-11-7;1-((5-(Dimethylamino)-1-naphthyl)sulphonyl)-L-proline, compound with cyclohexylamine (1:1);cyclohexanamine;(2S)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylic acid;C17H20N2O4S.C6H13N;C17-H20-N2-O4-S.C6-H13-N;1-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-proline, compound with cyclohexylamine (1:1);DTXSID90962709;1-[5-(Dimethylamino)naphthalene-1-sulfonyl]proline--cyclohexanamine (1/1)

Chemical Property of Einecs 255-949-5

Chemical Property:

• Vapor Pressure: 2.33E-13mmHg at 25°C
• Boiling Point: 559.6°Cat760mmHg
• Flash Point: 292.2°C
• PSA: 112.32000
• Density: g/cm³
• LogP: 5.14030
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 447.21917772
• Heavy Atom Count: 31
• Complexity: 618

Purity/Quality:

98%Min ^*data from raw suppliers

DANSYL-L-PROLINE CYCLOHEXYLAMMONIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCCC3C(=O)O.C1CCC(CC1)N
• Isomeric SMILES: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCC[C@H]3C(=O)O.C1CCC(CC1)N