2-Chloro-6-(3-hydroxypropylamino)-1-phenalenone

Base Information

• Chemical Name: 2-Chloro-6-(3-hydroxypropylamino)-1-phenalenone
• CAS No.: 113722-81-9
• Molecular Formula: C16H14 Cl N O2
• Molecular Weight: 287.74
• Hs Code.: 2922509090
• European Community (EC) Number: 620-974-6
• DSSTox Substance ID: DTXSID40391808
• Wikidata: Q82189529
• Mol file: 113722-81-9.mol

Synonyms:113722-81-9;2-Chloro-6-(3-hydroxypropylamino)-1-phenalenone;2-chloro-6-(3-hydroxypropylamino)phenalen-1-one;2-CHLORO-6-(3-HYDROXYPROPYL)AMINO-1H-PHENALEN-1-ONE;1H-Phenalen-1-one, 2-chloro-6-[(3-hydroxypropyl)amino]-;2-chloro-6-[(3-hydroxypropyl)amino]-1H-phenalen-1-one;2-Chloro-6-((3-hydroxypropyl)amino)-1H-phenalen-1-one;2-Chloro-6-[(3-hydroxypropyl)-amino]-1H-phenalen-1-one;DTXSID40391808;MFCD00226953;AKOS000265874;SR-01000078286;SR-01000078286-1;2-chloro-6-(3-hydroxypropylamino)-1H-phenalen-1-one;2-Chloro-6-(3-hydroxypropylamino)-1-phenalenone, for HPLC derivatization;N-{5-[(E)-2-(5-{[(5-chloro-2-methylphenyl)amino]sulfonyl}-2-thienyl)vinyl]-3-methylisoxazol-4-yl}propanamide

Chemical Property of 2-Chloro-6-(3-hydroxypropylamino)-1-phenalenone

Chemical Property:

• Melting Point: ~205 °C (dec.)
• Boiling Point: 529.4±50.0 °C(Predicted)
• PKA: 14.97±0.10(Predicted)
• PSA: 49.33000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 3.48310
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 287.0713064
• Heavy Atom Count: 20
• Complexity: 409

Purity/Quality:

98%Min ^*data from raw suppliers

2-Chloro-6-(3-hydroxypropylamino)-1-phenalenone for HPLC derivatization ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC3=C2C(=C1)C(=O)C(=C3)Cl)NCCCO