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Substance Name: Acetonin
RN: 556-72-9
UNII: AVP0X7K1TC
InChIKey: PIFBMJMXJMZZRG-UHFFFAOYSA-N

Molecular Formula

  • C9-H18-N2

Molecular Weight

  • 154.255
 
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Names and Synonyms

Name of Substance

  • Acetonin

Synonyms

  • 1,2,5,6-Tetrahydro-2,2,4,6,6-pentamethylpyrimidine
  • 2,2,4,6,6-Pentamethyltetrahydro pyrimidine
  • 5-23-04-00066 (Beilstein Handbook Reference)
  • Acetonin
  • Acetonine
  • BRN 0115247
  • EINECS 209-139-3
  • UNII-AVP0X7K1TC

Systematic Names

  • 2,3,4,5-Tetrahydro-2,2,4,4,6-pentamethylpyrimidine
  • Pyrimidine, 1,2,5,6-tetrahydro-2,2,4,6,6-pentamethyl-
  • Pyrimidine, 2,2,4,6,6-pentamethyl tetrahydro-

Registry Numbers

CAS Registry Number

  • 556-72-9

FDA UNII

  • AVP0X7K1TC

System Generated Number

  • 0000556729

Structure Descriptors

InChI

1S/C9H18N2/c1-7-6-8(2,3)11-9(4,5)10-7/h11H,6H2,1-5H3

InChIKey

PIFBMJMXJMZZRG-UHFFFAOYSA-N

Smiles

N1=C(CC(NC1(C)C)(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 700mg/kg (700mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 8, 1961.
rabbit LDLo oral 1200mg/kg (1200mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 8, 1961.
rat LDLo oral 1gm/kg (1000mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 8, 1961.