[email protected]
CAS 139-87-7 N-Ethyldiethanolamine molecular structure lightbox
CAS RN: 139-87-7

N-Ethyldiethanolamine

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250108 100g In stock Shanghai Inquiry
Batchno.20250905 1g Out of stock 8-10 business days Inquiry
Batchno.20260227 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20251001 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: ICTE0111
  • Purity/Analytical Methods: >98.0%(GC)
GET A QUOTE

139-87-7 / 2-[ethyl(2-hydroxyethyl)amino]ethanol

Standard CAS: 139-87-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
139-87-7
Multi CAS
No
Molecular Formula
C6H15NO2
Molecular Weight
133.190000
Exact Mass
133.110279
SMILES
CCN(CCO)CCO
InChI
InChI=1S/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3
InChIKey
AKNUHUCEWALCOI-UHFFFAOYSA-N

Physical Properties

Melting Point
-50 °C
Boiling Point
247 degc C
Density
1.0135 g/cu cm at 20 °C
Physical Description
This is a chemical weapon precursor or chemical weapon impurity which is similar to methyldiethanolamine. See the chemical datasheet for methyldiethanolamine for more information. Water-white or yellow liquid with an amine odor; [HSDB] Light yellow liquid
Appearance
Water-white liquid Yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.29
TPSA
43.7

LogP / Solubility

WLOGP
-0.71
MLOGP
-0.63
XLogP3
0.1
Consensus LogP
-0.41
Log S (ESOL)
0.11
Class (ESOL)
Highly soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.03

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (20.7%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (56.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (23.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (20.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us