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Substance Name: Heptanal, oxime
RN: 629-31-2
InChIKey: BNYNJIKGRPHFAM-BQYQJAHWSA-N

Molecular Formula

  • C7-H15-N-O

Molecular Weight

  • 129.202
 
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Names and Synonyms

Synonyms

  • 3-01-00-02850 (Beilstein Handbook Reference)
  • BRN 1721246
  • EINECS 211-086-6
  • Enanthaldoxime
  • Heptanal oxime
  • NSC 2191

Systematic Name

  • Heptanal, oxime

Registry Numbers

CAS Registry Number

  • 629-31-2

System Generated Number

  • 0000629312

Structure Descriptors

InChI

1S/C7H15NO/c1-2-3-4-5-6-7-8-9/h7,9H,2-6H2,1H3/b8-7+

InChIKey

BNYNJIKGRPHFAM-BQYQJAHWSA-N

Smiles

N(\O)=C\CCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Toksikologicheskii Vestnik. Vol. (5), Pg. 41, 1994.
rat LD50 oral 1045mg/kg (1045mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Toksikologicheskii Vestnik. Vol. (5), Pg. 41, 1994.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 57.5 deg C   EXP
Boiling Point 195 deg C   EXP
log P (octanol-water) 2.250 (none)   EST
Atmospheric OH Rate Constant 9.35E-12 cm3/molecule-sec 25 EST

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