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CAS 66455-29-6 N-DODECYL-N,N-DIMETHYLGLYCINE molecular structure lightbox
CAS RN: 66455-29-6

N-DODECYL-N,N-DIMETHYLGLYCINE

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260307 10ml In stock Shandong Inquiry
Batchno.20251012 250ml In stock Shanghai, Shandong Inquiry
Batchno.20251114 50ml In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS66455-29-6
  • Purity/Analytical Methods: >99.0%
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66455-29-6 / 2-[dodecyl(dimethyl)azaniumyl]acetate

Standard CAS: 66455-29-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
66455-29-6
Multi CAS
Yes
Molecular Formula
C16H33NO2
Molecular Weight
271.440000
Exact Mass
271.251129
InChI
InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3
InChIKey
DVEKCXOJTLDBFE-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
13
H-bond acceptors
2
Molar refractivity
78.69
TPSA
40.13

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
6.1
Consensus LogP
3.75
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-2.43

Drug-likeness / Medicinal Chemistry

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

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