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CAS 34004-36-9 (2,3-dihydroxypropyl)trimethylammonium chloride molecular structure lightbox
CAS RN: 34004-36-9

(2,3-dihydroxypropyl)trimethylammonium chloride

  • Product code: SSC-140232
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 34004-36-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >95% 0 Out of Stock Beijing Inquiry

34004-36-9 / 2,3-dihydroxypropyl(trimethyl)azanium chloride

Standard CAS: 34004-36-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
34004-36-9
Multi CAS
Yes
Molecular Formula
C6H16CLNO2
Molecular Weight
169.650000
Exact Mass
169.086956
InChI
InChI=1S/C6H16NO2.ClH/c1-7(2,3)4-6(9)5-8;/h6,8-9H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKey
YSRQRFIVCMIJJE-UHFFFAOYSA-M

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.99
TPSA
40.46

LogP / Solubility

WLOGP
-3.95
MLOGP
-3.48
XLogP3
-3.95
Consensus LogP
-3.79
Log S (ESOL)
1.79
Class (ESOL)
Highly soluble
Log S (Ali)
1.9
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.16
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)
-6.56

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
2

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