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CAS 56-37-1 Benzyltriethylammonium Chloride molecular structure lightbox
CAS RN: 56-37-1

Benzyltriethylammonium Chloride

  • Product code: SSC-163947
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 100g, 500g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 56-37-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 5 In Stock Shenzhen Inquiry
500g >97% 5 In Stock Hong Kong Inquiry
1000g >97% 5 In Stock Shanghai Inquiry

56-37-1 / benzyl(triethyl)azanium chloride

Standard CAS: 56-37-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
56-37-1
Multi CAS
Yes
Molecular Formula
C13H22CLN
Molecular Weight
227.770000
Exact Mass
227.144077
InChI
InChI=1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
InChIKey
HTZCNXWZYVXIMZ-UHFFFAOYSA-M

Physical Properties

Physical Description
Dry Powder White crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
62.03
TPSA
0.0000

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
XLogP3
0.07
Consensus LogP
0.07
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-4.06

Drug-likeness / Medicinal Chemistry

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

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