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Substance Name: 2,4-Diamino-5-benzylpyrimidine
RN: 7319-45-1
InChIKey: XHPZVBGIPQQTQW-UHFFFAOYSA-N

Molecular Formula

  • C11-H12-N4

Molecular Weight

  • 200.244
 
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Names and Synonyms

Name of Substance

  • 2,4-Diamino-5-benzylpyrimidine

Systematic Name

  • 2,4-Pyrimidinediamine, 5-(phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 7319-45-1

System Generated Number

  • 0007319451

Structure Descriptors

InChI

1S/C11H12N4/c12-10-9(7-14-11(13)15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H4,12,13,14,15)

InChIKey

XHPZVBGIPQQTQW-UHFFFAOYSA-N

Smiles

c1ccccc1Cc1cnc(N)nc1N

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 7.27 (none) 20 EXP
log P (octanol-water) 1.58 (none)   EXP
Water Solubility 1950 mg/L 25 EST
Vapor Pressure 1.44E-06 mm Hg 25 EST
Henry's Law Constant 1.15E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.31E-12 cm3/molecule-sec 25 EST

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