CAS 109-83-1|N-METHYLETHANOLAMINE|2-(methylamino)ethan-1-ol|methylethanolamine|2-(Methylamino)ethanol|Methyl β-hydroxyethylamine|N-甲基单乙醇胺|2-(甲胺基)乙醇|N-Methylethanolamine|2-(Methylamino)et...

General Information

Structure

Molecular Formula

C₃H₉NO

Molecular Mass

75.10966

Exact Mass

75.06841391

Charge

InChI

InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3

InChIKey

OPKOKAMJFNKNAS-UHFFFAOYSA-N

Canonic Smiles

CNCCO

Isomeric Smiles

CNCCO

Calculated Properties

JChem

LogD (pH = 7.4)

-3.24

LogD (pH = 5.5)

-4.09

Log P

-0.88

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

9.81

Polar Surface Area

32.26

Polarizability

8.64

Molar Refractivity

20.99

LOG S

1.17

Data Source

Names and Identifiers

IUPAC Traditional name

methylethanolamine

Synonyms

N-METHYLETHANOLAMINE2-(Methylamino)ethanolMethyl β-hydroxyethylamineN-Methylethanolamine2-(甲胺基)乙醇N-甲基单乙醇胺2-(Methylamino)ethanol2-(甲氨基)乙醇2-N-Monomethylaminoethanol(2-Hydroxyethyl)methylamineN-MethylaminoethanolN-Methyl-2-hydroxyethylamineN-Methyl-N-(beta-hydroxyethyl)amineMethyl(2-hydroxyethyl)amine2-MethylaminoethanolMonomethylmonoethanolamine2-(N-Methylamino)ethanolN-(2-Hydroxyethyl)methylamineMonomethylaminoethanol2-Hydroxy-N-methylethylamineN-methylethanolamineN-(2-Hydroxyethyl)-N-methylamineMethylethanolamineMethyl(beta-hydroxyethyl)amineMonomethyl-aminoaethanolN-Monomethylethanolaminebeta-(Methylamino)ethanolN-MethylmonoethanolamineN-MethylethanolamineN-Methyl-N-(2-hydroxyethyl)amineMonomethylethanolamineN-MonomethylaminoethanolMethylethylolamineN-Methyl-2-aminoethanolN-Methyl-2-ethanolamine

IUPAC name

2-(methylamino)ethan-1-ol

Names and Identifiers

Registration numbers

PubChem SID

24884148248707332484969416206215187246418

CAS Number

109-83-1

MDL Number

MFCD00002839

EC Number

203-710-0