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Substance Name: 1-Methylbenz(a)anthracene
RN: 2498-77-3
UNII: 4K7797O3V4
InChIKey: MWMBCXXTFFHALK-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C19-H14

Molecular Weight

  • 242.32
 
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Names and Synonyms

Name of Substance

  • 1-Methylbenz(a)anthracene

Synonyms

  • 1'-Methyl-1,2-benzanthracene
  • 1-Methylbenz(a)anthracene
  • 4-05-00-02561 (Beilstein Handbook Reference)
  • BRN 2098160
  • CCRIS 1881
  • UNII-4K7797O3V4

Systematic Names

  • 1-Methylbenz(a)anthracene
  • Benz(a)anthracene, 1-methyl-

Registry Numbers

CAS Registry Number

  • 2498-77-3

FDA UNII

  • 4K7797O3V4

System Generated Number

  • 0002498773

Structure Descriptors

InChI

1S/C19H14/c1-13-5-4-8-14-9-10-17-11-15-6-2-3-7-16(15)12-18(17)19(13)14/h2-12H,1H3

InChIKey

MWMBCXXTFFHALK-UHFFFAOYSA-N

Smiles

c12c3c(ccc1cc1ccccc1c2)cccc3C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.070 (none)   EST
Water Solubility 0.055 mg/L 27 EXP
Vapor Pressure 2.53E-07 mm Hg 25 EST
Henry's Law Constant 5.53E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.31E-10 cm3/molecule-sec 25 EST

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