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CAS 46830-22-2 N-(2-Acryloyloxyethyl)-N-benzyl-N,N-dimethylammonium Chloride (ca. 75% in water) (stabilized with MEHQ) molecular structure lightbox
CAS RN: 46830-22-2

N-(2-Acryloyloxyethyl)-N-benzyl-N,N-dimethylammonium Chloride (ca. 75% in water) (stabilized with MEHQ)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250718 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTA3310
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46830-22-2 / benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride

Standard CAS: 46830-22-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
46830-22-2
Multi CAS
Yes
Molecular Formula
C14H20CLNO2
Molecular Weight
269.770000
Exact Mass
269.118257
InChI
InChI=1S/C14H20NO2.ClH/c1-4-14(16)17-11-10-15(2,3)12-13-8-6-5-7-9-13;/h4-9H,1,10-12H2,2-3H3;1H/q+1;/p-1
InChIKey
ZGCZDEVLEULNLJ-UHFFFAOYSA-M

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
68.28
TPSA
26.3

LogP / Solubility

WLOGP
-1
MLOGP
-0.87
XLogP3
-1
Consensus LogP
-0.96
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
Class (SILICOS-IT)
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)
-5.08

Drug-likeness / Medicinal Chemistry

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

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