Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: (((4-Bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol
RN: 134419-55-9
InChIKey: BKORDMXMGXPXFW-UHFFFAOYSA-N

Molecular Formula

  • C11-H17-Br-N4-O4

Molecular Weight

  • 349.1833
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • (((4-Bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-1H-imidazole-1-ethanol

Synonym

  • 4-Bpne

Systematic Name

  • 1H-Imidazole-1-ethanol, alpha-(((4-bromotetrahydro-2H-pyran-3-yl)amino)methyl)-2-nitro-

Registry Numbers

CAS Registry Number

  • 134419-55-9

System Generated Number

  • 0134419559

Structure Descriptors

InChI

1S/C11H17BrN4O4/c12-9-1-4-20-7-10(9)14-5-8(17)6-15-3-2-13-11(15)16(18)19/h2-3,8-10,14,17H,1,4-7H2

InChIKey

BKORDMXMGXPXFW-UHFFFAOYSA-N

Smiles

OC(CNC1COCCC1Br)Cn2ccnc2[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.17 (none)   EXP
Water Solubility 1.65E+05 mg/L 25 EST
Vapor Pressure 1.35E-09 mm Hg 25 EST
Henry's Law Constant 2.04E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.04E-10 cm3/molecule-sec 25 EST

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