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Substance Name: Glycerol-2-nitrate
RN: 620-12-2
UNII: K3K9AJ5J41
InChIKey: QYZBMMOLPVKAPU-UHFFFAOYSA-N

Molecular Formula

  • C3-H7-N-O5

Molecular Weight

  • 137.09
 
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Names and Synonyms

Name of Substance

  • Glycerol-2-nitrate

Synonyms

  • 2-01-00-00591 (Beilstein Handbook Reference)
  • 2-Glyceryl mononitrate
  • BRN 1765006
  • Glycerin 2-nitrate
  • Glycerol 2-mononitrate
  • UNII-K3K9AJ5J41

Systematic Names

  • 1,2,3-Propanetriol, 2-nitrate (9CI)
  • Glycerol, 2-nitrate

Registry Numbers

CAS Registry Number

  • 620-12-2

FDA UNII

  • K3K9AJ5J41

System Generated Number

  • 0000620122

Structure Descriptors

InChI

1S/C3H7NO5/c5-1-3(2-6)9-4(7)8/h3,5-6H,1-2H2

InChIKey

QYZBMMOLPVKAPU-UHFFFAOYSA-N

Smiles

[N+](OC(CO)CO)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal > 5gm/kg (5000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 814, 1986.
mouse LDLo oral > 8gm/kg (8000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 814, 1986.
rat LDLo intraperitoneal > 3gm/kg (3000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 814, 1986.
rat LDLo oral > 5gm/kg (5000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 36, Pg. 814, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 54 deg C   EXP
Boiling Point 157.5 deg C   EXP
log P (octanol-water) -0.860 (none)   EST
Atmospheric OH Rate Constant 2.07E-12 cm3/molecule-sec 25 EST

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