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CAS 90434-46-1 N,N-DIMETHYL(2-HYDROXYETHYL)AMMONIUM PROPIONATE molecular structure lightbox
CAS RN: 90434-46-1

N,N-DIMETHYL(2-HYDROXYETHYL)AMMONIUM PROPIONATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250515 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS90434-46-1
  • Purity/Analytical Methods: >99.0%
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90434-46-1 / 2-hydroxyethyl(dimethyl)azanium;propanoate

Standard CAS: 90434-46-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90434-46-1
Multi CAS
Yes
Molecular Formula
C7H17NO3
Molecular Weight
163.210000
Exact Mass
163.120843
InChI
InChI=1S/C4H11NO.C3H6O2/c1-5(2)3-4-6;1-2-3(4)5/h6H,3-4H2,1-2H3;2H2,1H3,(H,4,5)
InChIKey
DWLUNFAUNAHQIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.06
TPSA
64.8

LogP / Solubility

WLOGP
-2.73
MLOGP
-2.41
XLogP3
-2.73
Consensus LogP
-2.62
Log S (ESOL)
1.07
Class (ESOL)
Highly soluble
Log S (Ali)
1.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.19
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)
-5.65

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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