(2S)-2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-3-methylbutanoic acid;morpholine

Base Information

• Chemical Name: (2S)-2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-3-methylbutanoic acid;morpholine
• CAS No.: 180179-66-2
• Molecular Formula: C19H23ClN2O5
• Molecular Weight: 394.84932
• DSSTox Substance ID: DTXSID10170925
• Mol file: 180179-66-2.mol

Synonyms:180179-66-2;(2S)-2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-3-methylbutanoic acid;morpholine;C15H14ClNO4.C4H9NO;DTXSID10170925;GUMZDOISFUFSNI-MERQFXBCSA-N;C15-H14-Cl-N-O4.C4-H9-N-O;LS-161301

Chemical Property of (2S)-2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-3-methylbutanoic acid;morpholine

Chemical Property:

• Vapor Pressure: 2.59E-09mmHg at 25°C
• Boiling Point: 461.5°Cat760mmHg
• Flash Point: 232.9°C
• PSA: 104.73000
• Density: g/cm³
• LogP: 2.54070
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 394.1295495
• Heavy Atom Count: 27
• Complexity: 546

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl.C1COCCN1
• Isomeric SMILES: CC(C)[C@@H](C(=O)O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl.C1COCCN1