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Substance Name: C.I. 11230
RN: 6054-58-6
InChIKey: PIBTYZGGTBGGCN-QZQOTICOSA-N

Molecular Formula

  • C18-H19-N5-O3

Molecular Weight

  • 353.38
 
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Names and Synonyms

Results Name

  • C.I. 11230

Synonym

  • C.I. 11230

Systematic Name

  • Propanenitrile, 3-((2-hydroxyethyl)(3-methyl-4-((4-nitrophenyl)azo)phenyl)amino)-

Registry Numbers

CAS Registry Number

  • 6054-58-6

System Generated Number

  • 0006054586

Structure Descriptors

InChI

1S/C18H19N5O3/c1-14-13-17(22(11-12-24)10-2-9-19)7-8-18(14)21-20-15-3-5-16(6-4-15)23(25)26/h3-8,13,24H,2,10-12H2,1H3/b21-20+

InChIKey

PIBTYZGGTBGGCN-QZQOTICOSA-N

Smiles

c1(N(CCC#N)CCO)cc(c(\N=N\c2ccc([N+](=O)[O-])cc2)cc1)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 156 deg C   EXP
log P (octanol-water) 3.770 (none)   EST
Water Solubility 0.0671 mg/L 25 EXP
Vapor Pressure 1.94E-13 mm Hg 25 EST
Henry's Law Constant 2.72E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.68E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.