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Substance Name: 1,3,5-Triazine-2,4-diamine, N-(phenylmethyl)-
RN: 4086-63-9
InChIKey: VWWIROAZLXEHMJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H11-N5

Molecular Weight

  • 201.232
 
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Names and Synonyms

Synonyms

  • 2-Benzylamino-6-aminotriazine
  • N-(Phenylmethyl)-1,3,5-triazine-2,4-diamine

Systematic Name

  • 1,3,5-Triazine-2,4-diamine, N-(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 4086-63-9

System Generated Number

  • 0004086639

Structure Descriptors

InChI

1S/C10H11N5/c11-9-13-7-14-10(15-9)12-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,11,12,13,14,15)

InChIKey

VWWIROAZLXEHMJ-UHFFFAOYSA-N

Smiles

n1cnc(N)nc1NCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 690mg/kg (690mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 712, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.630 (none)   EST
Water Solubility 2500 mg/L 37 EXP
Atmospheric OH Rate Constant 1.39E-11 cm3/molecule-sec 25 EST

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