CAS RN: 1965-29-3
2-(2-(2-aminoethylamino)ethylamino)ethanol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 10g / 25g / 100g / 500g / 1kg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS1965-29-3
- Purity/Analytical Methods: >99.0%
1965-29-3 / 2-[2-(2-aminoethylamino)ethylamino]ethanol
Basic Information
CAS
1965-29-3
Multi CAS
No
Molecular Formula
C6H17N3O
Molecular Weight
147.220000
Exact Mass
147.137162
SMILES
C(CNCCNCCO)N
InChI
InChI=1S/C6H17N3O/c7-1-2-8-3-4-9-5-6-10/h8-10H,1-7H2
InChIKey
HVOBSBRYQIYZNY-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
4
Molar refractivity
41.88
TPSA
70.31
LogP / Solubility
WLOGP
-1.88
MLOGP
-1.66
XLogP3
-2.3
Consensus LogP
-1.95
Log S (ESOL)
0.9
Class (ESOL)
Highly soluble
Log S (Ali)
0.59
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.11
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)
-4.96
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
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (84.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364
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