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Substance Name: 1-Phenyl-3,3-dimethyltriazene
RN: 7227-91-0
UNII: 79R3ZF226Y
InChIKey: LLROQAGEAVDYFP-MDZDMXLPSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C8-H11-N3

Molecular Weight

  • 149.196
 
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Names and Synonyms

Name of Substance

  • 1-Phenyl-3,3-dimethyltriazene

Synonyms

  • 1-Fenyl-3,3-dimethyltriazin
  • 1-Phenyl-3,3-dimethyltriazene
  • 3,3-Dimethyl-1-phenyl-1-triazene
  • 3,3-Dimethyl-1-phenyltriazene
  • 4-16-00-00903 (Beilstein Handbook Reference)
  • AI3-22123
  • BRN 0907506
  • CCRIS 507
  • EINECS 230-627-7
  • NSC 3094
  • PDMT
  • UNII-79R3ZF226Y
  • X 119

Systematic Names

  • 1-Triazene, 3,3-dimethyl-1-phenyl-
  • 1-Triazene, 3,3-dimethyl-1-phenyl- (9CI)
  • 3,3-Dimethyl-1-phenyltriazene
  • Triazene, 3,3-dimethyl-1-phenyl-

Registry Numbers

CAS Registry Number

  • 7227-91-0

FDA UNII

  • 79R3ZF226Y

System Generated Number

  • 0007227910

Structure Descriptors

InChI

1S/C8H11N3/c1-11(2)10-9-8-6-4-3-5-7-8/h3-7H,1-2H3/b10-9+

InChIKey

LLROQAGEAVDYFP-MDZDMXLPSA-N

Smiles

c1(\N=N\N(C)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 1299, 1976.
mouse LD50 oral 200mg/kg (200mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rat LD50 intraperitoneal 180mg/kg (180mg/kg)   Clinical Proceedings of the Children's Hospital of the District of Columbia. Vol. 18, Pg. 307, 1962.
rat LD50 oral 310mg/kg (310mg/kg)   Zeitschrift fuer Krebsforschung und Klinische Onkologie. Vol. 81, Pg. 285, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.59 (none)   EXP
Water Solubility 470 mg/L 25 EST
Vapor Pressure 0.122 mm Hg 25 EST
Henry's Law Constant 5.37E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.30E-12 cm3/molecule-sec 25 EST

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