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Substance Name: Trimethylamine oxide dihydrate
RN: 62637-93-8
UNII: C73WZ0186W
InChIKey: PGFPZGKEDZGJQZ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C3-H9-N-O.2H2-O

Molecular Weight

  • 111.14
 
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Names and Synonyms

Name of Substance

  • Trimethylamine oxide dihydrate

Synonyms

  • Methanamine oxide, N,N-dimethyl, dihydrate
  • N,N-Dimethylmethanamine oxide, dihydrate
  • Trimethylammoniumoxid hydrat
  • Trimethylammoniumoxid hydrat [Czech]
  • UNII-C73WZ0186W

Systematic Name

  • Trimethylamine oxide, dihydrate

Registry Numbers

CAS Registry Number

  • 62637-93-8

FDA UNII

  • C73WZ0186W

System Generated Number

  • 0062637938

Molecular Formulas

Molecular Formula

  • C3-H9-N-O.2H2-O

Molecular Formula Fragments

  • C3-H9-N-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C3H9NO.2H2O/c1-4(2,3)5;;/h1-3H3;2*1H2

InChIKey

PGFPZGKEDZGJQZ-UHFFFAOYSA-N

Smiles

[N+](C)([O-])(C)C.O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo subcutaneous 3gm/kg (3000mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
rat LD50 oral 8700mg/kg (8700mg/kg)   "Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku," Marhold, J.V., Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha, Czechoslovakia, 1972Vol. -, Pg. 74, 1972.