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Substance Name: Benz(a)anthracene, 3-methyl-
RN: 2498-75-1
InChIKey: VYZKVUIQCRWXJH-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C19-H14

Molecular Weight

  • 242.32
 
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Names and Synonyms

Synonyms

  • 3-Methyl-1,2-benzanthracene
  • 3-Methylbenz(a)anthracene
  • 4-05-00-02562 (Beilstein Handbook Reference)
  • BRN 1954998
  • CCRIS 1883
  • NSC 409462

Systematic Names

  • 3-Methylbenz(a)anthracene
  • Benz(a)anthracene, 3-methyl-

Registry Numbers

CAS Registry Number

  • 2498-75-1

System Generated Number

  • 0002498751

Structure Descriptors

InChI

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

InChIKey

VYZKVUIQCRWXJH-UHFFFAOYSA-N

Smiles

c12c3c(ccc1cc1ccccc1c2)cc(C)cc3

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 156.5 deg C   EXP
log P (octanol-water) 6.070 (none)   EST
Atmospheric OH Rate Constant 1.31E-10 cm3/molecule-sec 25 EST

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