n-methyldiethanolamine

Synonyms: "methyldiethanolamine", "2,2'-(methylimino)diethanol", "methyl diethanolamine", "N-methyliminodiethanol", "N-methyl-2,2'-iminodiethanol", "N-methylaminodiglycol", "2,2'-methyliminodiethanol", "N-methyldiethanolimine", "N,N-bis(2-hydroxyethyl)methylamine", "methylbis(2-hydroxyethyl)amine", "bis(2-hydroxyethyl)methylamine", "methyliminodiethanol", "dDiethanolmethylamine", "N-methyl diethanolamine", "2-[2-hydroxyethyl(methyl)amino]ethanol", "bis(2-hydroxyethyl) methyl amine".

Source: n-methyldiethanolamine is employed as an intermediate in the synthesis of numerous products.

Identifiers:

IUPAC Name: 2-[2-hydroxyethyl(methyl)amino]ethanol
CAS Number: 105-59-9
PubChem ID: 7767
InChiKey: CRVGTESFCCXCTH-UHFFFAOYSA-N
Canonical SMILES: CN(CCO)CCO

Structural Properties:

Molecular Formula: C₅H₁₃NO₂
Molecular Weight: 119.164

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 8

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Werley MS, Ballantyne B, Leung H-W, Hermansky SJ, Fowler EH. 1997. Acute and Subchronic Repeated Cutaneous Application of N-Methyldiethanolamine in the Fischer 344 Rat. J Toxicol Cutaneous Ocul Toxicol 16(3):157-171. DOI: 10.3109/15569529709048893. URL: http://www.tandfonline.com/doi/abs/10.3109/15569529709048893.