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CAS 58145-14-5 2-[bis(2-aminoethyl)amino]ethanol molecular structure lightbox
CAS RN: 58145-14-5

2-[bis(2-aminoethyl)amino]ethanol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250510 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS58145-14-5
  • Purity/Analytical Methods: >99.0%
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58145-14-5 / 2-[bis(2-aminoethyl)amino]ethanol

Standard CAS: 58145-14-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58145-14-5
Multi CAS
No
Molecular Formula
C6H17N3O
Molecular Weight
147.220000
Exact Mass
147.137162
InChI
InChI=1S/C6H17N3O/c7-1-3-9(4-2-8)5-6-10/h10H,1-8H2
InChIKey
WUXYGKZSOBYDPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
41.63
TPSA
75.51

LogP / Solubility

WLOGP
-1.8
MLOGP
-1.59
XLogP3
-2.3
Consensus LogP
-1.9
Log S (ESOL)
0.78
Class (ESOL)
Highly soluble
Log S (Ali)
0.53
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.16
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)
-4.9

Drug-likeness / Medicinal Chemistry

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

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