Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 5-Nitro-2-propoxyaniline
RN: 553-79-7
UNII: HDS42MR6BM
InChIKey: RXQCEGOUSFBKPI-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-N2-O3

Molecular Weight

  • 196.2048
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 5-Nitro-2-propoxyaniline
  • P 4000

Synonyms

  • 1-Oxy-2-amino-4-nitrobenzol propyl aether
  • 1-Oxy-2-amino-4-nitrobenzol propyl aether [German]
  • 1-Propoxy-2-amino-4-nitrobenzene
  • 1-Propoxy-2-amino-4-nitrobenzol
  • 1-Propoxy-2-amino-4-nitrobenzol [German]
  • 4-13-00-00897 (Beilstein Handbook Reference)
  • 5-Nitro-2-propoxyaniline
  • 5-Nitro-2-propoxybenzenamine
  • Aniline, 5-nitro-2-propoxy-
  • Aros X
  • Benzenamine, 5-nitro-2-propoxy-
  • BRN 2098543
  • EINECS 209-049-4
  • NSC 108776
  • P 4000
  • P 4000 (Sweetener)
  • Sweetening agent P 4000
  • Ultrasuess
  • Ultrasuss
  • Ultrasweet
  • UNII-HDS42MR6BM

Systematic Names

  • 5-Nitro-2-propoxyaniline
  • Aniline, 5-nitro-2-propoxy-
  • Benzenamine, 5-nitro-2-propoxy- (9CI)

Superlist Name

  • 5-Nitro-2-propoxyaniline

Registry Numbers

CAS Registry Number

  • 553-79-7

FDA UNII

  • HDS42MR6BM

System Generated Number

  • 0000553797

Structure Descriptors

InChI

1S/C9H12N2O3/c1-2-5-14-9-4-3-7(11(12)13)6-8(9)10/h3-4,6H,2,5,10H2,1H3

InChIKey

RXQCEGOUSFBKPI-UHFFFAOYSA-N

Smiles

CCCOc1ccc(cc1N)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 360mg/kg (360mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 208, Pg. 178, 1949.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 49 deg C   EXP
log P (octanol-water) 2.530 (none)   EST
Water Solubility 136 mg/L 20 EXP
Atmospheric OH Rate Constant 1.86E-11 cm3/molecule-sec 25 EST

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