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CAS 105-59-9 N-Methyldiethanolamine molecular structure lightbox
CAS RN: 105-59-9

N-Methyldiethanolamine

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250316 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250108 100ml In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20260612 10L In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250217 2.5L In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250722 25L In stock Shanghai, Shandong Inquiry
Batchno.20250130 500ml In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: ICTM0505
  • Purity/Analytical Methods: >99.0%(GC)
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105-59-9 / 2-[2-hydroxyethyl(methyl)amino]ethanol

N-METHYLDIETHANOLAMINE | Methyldiethanolamine | Methyl diethanolamine

Standard CAS: 105-59-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
105-59-9
Multi CAS
Yes
Molecular Formula
C5H13NO2
Molecular Weight
119.160000
Exact Mass
119.094629
SMILES
CN(CCO)CCO
InChI
InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3
InChIKey
CRVGTESFCCXCTH-UHFFFAOYSA-N
Synonyms
N-METHYLDIETHANOLAMINE Methyldiethanolamine Methyl diethanolamine 2,2'-(Methylimino)diethanol N-Methylaminodiglycol

Physical Properties

Melting Point
-6 °F (NTP, 1992) -21 °C
Boiling Point
477 °F at 760 mmHg (NTP, 1992) 245 °C 247 °C
Density
1.0377 at 68 °F (USCG, 1999) - Denser than water; will sink 1.043 g/cu cm at 25 °C Bulk density: 8.7 lb/gal, vapor pressure less than 0.01 mm Hg at 20 °C Relative density (water = 1): 1.04
Physical Description
Methyldiethanolamine is a colorless liquid. (USCG, 1999) Liquid Colorless liquid; [ICSC] Clear light yellow liquid; COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
Appearance
Colorless liquid Liquid
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and keep it away from oxidizing materials. (NTP, 1992) Store in an area without drain or sewer access. Separated from strong acids.

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
31.67
TPSA
43.7

LogP / Solubility

WLOGP
-1.1
MLOGP
-0.98
XLogP3
-1.1
Consensus LogP
-1.06
Log S (ESOL)
0.38
Class (ESOL)
Highly soluble
Log S (Ali)
0.26
Class (Ali)
Highly soluble
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H319 (> 99.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H320: Causes eye irritation [Warning Serious eye damage/eye irritation] H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317 P203, P264+P265, P280, P305+P351+P338, P318, P337+P317, P405, and P501

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