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Substance Name: 2-Oxazolamine, 4,5-dihydro-5-((4-(3,4-dichlorophenyl)-1-piperazinyl)methyl)-
RN: 144881-36-7
InChIKey: VJTAPTNTBCXQPO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-Cl2-N4-O

Molecular Weight

  • 329.229
 
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Names and Synonyms

Synonyms

  • 4,5-Dihydro-5-((4-(3,4-dichlorophenyl)-1-piperazinyl)methyl)-2-oxazolamine
  • BRN 5449354

Systematic Name

  • 2-Oxazolamine, 4,5-dihydro-5-((4-(3,4-dichlorophenyl)-1-piperazinyl)methyl)-

Registry Numbers

CAS Registry Number

  • 144881-36-7

System Generated Number

  • 0144881367

Structure Descriptors

InChI

1S/C14H18Cl2N4O/c15-12-2-1-10(7-13(12)16)20-5-3-19(4-6-20)9-11-8-18-14(17)21-11/h1-2,7,11H,3-6,8-9H2,(H2,17,18)

InChIKey

VJTAPTNTBCXQPO-UHFFFAOYSA-N

Smiles

C1(=NC[C@@H](O1)CN1CCN(CC1)c1cc(Cl)c(cc1)Cl)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 759mg/kg (759mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 27, Pg. 437, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.4 (none)   EXP
Water Solubility 73.6 mg/L 25 EST
Vapor Pressure 6.72E-08 mm Hg 25 EST
Henry's Law Constant 6.34E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.83E-10 cm3/molecule-sec 25 EST

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