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N-Methyldiethanolamine (C5H13NO2)

N-Methyldiethanolamine presents a C5 framework, alcohol functionality, basic nitrogen (formula C5H13NO2, CAS 105-59-9). ChemicalTool Reaction can propose ranked disconnections for N-Methyldiethanolamine from the SMILES CN(CCO)CCO.

Target
N-Methyldiethanolamine
CAS
105-59-9
Formula
C5H13NO2
Approx. MW
119.16
SMILES
CN(CCO)CCO
PubChem CID
7767
Approx. carbons
C5

N-Methyldiethanolamine structure

Properties

IUPAC name
2-[2-hydroxyethyl(methyl)amino]ethanol
Common names
N-METHYLDIETHANOLAMINE; 105-59-9; Methyldiethanolamine; Methyl diethanolamine; N-Methylaminodiglycol; Ethanol, 2,2'-(methylimino)bis-; 2,2'-(Methylimino)diethanol; N-Methyliminodiethanol; Diethanolmethylamine; Methyliminodiethanol
Molecular weight
119.16
Exact mass
119.09
InChIKey
CRVGTESFCCXCTH-UHFFFAOYSA-N
Melting point
-6 °F (NTP, 1992)
Boiling point
477 °F at 760 mmHg (NTP, 1992)
Density
1.0377 at 68 °F (USCG, 1999) - Denser than water; will sink

View on PubChem

N-Methyldiethanolamine 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of N-Methyldiethanolamine?

N-Methyldiethanolamine has molecular formula C5H13NO2. Molecular weight about 119.16 g·mol⁻¹.

What is the CAS number of N-Methyldiethanolamine?

The CAS Registry Number for N-Methyldiethanolamine is 105-59-9.

Run AI retrosynthesis for N-Methyldiethanolamine Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C5H13NO2.

Related targets

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Unii-054qw4zamu3-(Dimethylamino)-1-propanol5-Amino-1-pentanolN-(2-Hydroxypropyl)ethylenediamine1-(2-Hydroxyethyl)pyrrolidin-2-one1-aminobutan-2-ol

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References & tools