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Substance Name: Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride
RN: 70682-31-4
InChIKey: CMXABWKPPMVEDB-UHFFFAOYSA-M

Molecular Weight

  • 401.978
 
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Names and Synonyms

  • Benzo(a)pyrene-6-methanaminium, N,N,N-triethyl-, chloride

Registry Numbers

CAS Registry Number

  • 70682-31-4

System Generated Number

  • 0070682314

Structure Descriptors

InChI

1S/C27H28N.ClH/c1-4-28(5-2,6-3)18-25-22-13-8-7-12-21(22)23-16-14-19-10-9-11-20-15-17-24(25)27(23)26(19)20;/h7-17H,4-6,18H2,1-3H3;1H/q+1;/p-1

InChIKey

CMXABWKPPMVEDB-UHFFFAOYSA-M

Smiles

c12c(c(c3ccc4cccc5ccc1c3c45)C[N+](CC)(CC)CC)cccc2.[ClH-]