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Substance Name: 4-Nitrobenzylamine
RN: 7409-30-5
InChIKey: ODVBBZFQPGORMJ-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-N2-O2

Molecular Weight

  • 152.152
 
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Names and Synonyms

Name of Substance

  • 4-Nitrobenzylamine

Synonym

  • para-Nitrobenzylamine

Systematic Name

  • Benzenemethanamine, 4-nitro-

Registry Numbers

CAS Registry Number

  • 7409-30-5

Related Registry Number

  • 18600-42-5 (mono-hydrochloride)

System Generated Number

  • 0007409305

Structure Descriptors

InChI

1S/C7H8N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5,8H2

InChIKey

ODVBBZFQPGORMJ-UHFFFAOYSA-N

Smiles

NCc1ccc([N+](=O)[O-])cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 8.5 (none) 25 EXP
log P (octanol-water) 1.06 (none)   EXP
Water Solubility 3.83E+04 mg/L 25 EST
Vapor Pressure 2.87E-03 mm Hg 25 EST
Henry's Law Constant 2.41E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.03E-11 cm3/molecule-sec 25 EST

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