CAS RN: 45021-77-0
(3-Acrylamidopropyl)trimethylammonium Chloride (74-76% in Water) (stabilized with MEHQ)
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250616 | 5ml / 25ml / 100ml / 500ml / 2.5L | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
- Product code: ICTA1493
45021-77-0 / trimethyl-[3-(prop-2-enoylamino)propyl]azanium chloride
Basic Information
CAS
45021-77-0
Multi CAS
Yes
Molecular Formula
C9H19CLN2O
Molecular Weight
206.710000
Exact Mass
206.118591
InChI
InChI=1S/C9H18N2O.ClH/c1-5-9(12)10-7-6-8-11(2,3)4;/h5H,1,6-8H2,2-4H3;1H
InChIKey
OEIXGLMQZVLOQX-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.72
TPSA
29.1
LogP / Solubility
WLOGP
-2.61
MLOGP
-2.3
XLogP3
-2.61
Consensus LogP
-2.51
Log S (ESOL)
0.85
Class (ESOL)
Highly soluble
Log S (Ali)
0.63
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.56
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)
-5.83
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
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