[email protected]
CAS 61791-44-4 POE (2) TALLOW AMINE molecular structure lightbox
CAS RN: 61791-44-4

POE (2) TALLOW AMINE

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS61791-44-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

61791-44-4 / 2-(2-hydroxyethylamino)ethanol

Standard CAS: 61791-44-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
61791-44-4
Multi CAS
No
Molecular Formula
C4H11NO2
Molecular Weight
105.140000
Exact Mass
105.078979
InChI
InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
InChIKey
ZBCBWPMODOFKDW-UHFFFAOYSA-N

Physical Properties

Melting Point
82 °F (NTP, 1992) 27.9 °C 28 °C 82 °F
Boiling Point
516.4 °F at 760 mmHg (Decomposes) (NTP, 1992) 268.8 °C BP: 217 °C at 150 mm Hg; 20 °C at 0.01 mm Hg 268.80 °C. @ 760.00 mm Hg 269 °C
Density
1.095 at 82.4 °F (USCG, 1999) - Denser than water; will sink 1.0966 at 20 °C Relative density (water = 1): 1.09 (liquid) 1.1 1.10
Physical Description
Diethanolamine appears as oily colorless liquid or solid white crystals. Slight rotten fish or ammonia odor. Denser than water. (USCG, 1999) Pellets or Large Crystals; Liquid Colorless crystals or a syrupy, white liquid (above 82 degrees F) with a mild, ammonia-like odor; [NIOSH] Deliquescent; [CHEMINFO] Solid WHITE CRYSTALS OR COLOURLESS VISCOUS HYGROSCOPIC LIQUID WITH CHARACTERISTIC ODOUR.
Appearance
A faintly colored, viscous liquid or deliquescent prisms Deliquescent prisms. Usually offered as a viscous liquid Colorless crystals or a syrupy, white liquid (above 82 °F)
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
27.04
TPSA
52.49

LogP / Solubility

WLOGP
-1.44
MLOGP
-1.28
XLogP3
-1.4
Consensus LogP
-1.37
Log S (ESOL)
0.68
Class (ESOL)
Highly soluble
Log S (Ali)
0.62
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.37
Class (SILICOS-IT)
Highly 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)
-4.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us