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Substance Name: 1,3-Diazabicyclo(3.1.0)hex-3-ene, 2,2-dimethyl-6-(4-nitrophenyl)-4-phenyl-
RN: 15757-54-7
InChIKey: ZURRJBURTJNBNL-UHFFFAOYSA-N

Molecular Formula

  • C18-H17-N3-O2

Molecular Weight

  • 307.351
 
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Names and Synonyms

Synonyms

  • 2,2-Dimethyl-4-phenyl-6-(p-nitrophenyl)-1,3-diazobicyclo(3.1.0)hex-3-ene
  • 2,2-Dimethyl-4-phenyl-6-p-nitrophenyl-1,3-diazabicyclo(3.1.0)hex-3-ene
  • EINECS 239-844-1
  • NSC 103874

Systematic Names

  • 1,3-Diazabicyclo(3.1.0)hex-3-ene, 2,2-dimethyl-6-(4-nitrophenyl)-4-phenyl-
  • 2,2-Dimethyl-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo(3.1.0)hex-3-ene

Registry Numbers

CAS Registry Number

  • 15757-54-7

System Generated Number

  • 0015757547

Structure Descriptors

InChI

1S/C18H17N3O2/c1-18(2)19-15(12-6-4-3-5-7-12)17-16(20(17)18)13-8-10-14(11-9-13)21(22)23/h3-11,16-17H,1-2H3

InChIKey

ZURRJBURTJNBNL-UHFFFAOYSA-N

Smiles

C=1([C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[N@@]2C(C)(C)N1)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 133mg/kg (133mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11822,