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CAS 17756-56-8 Tetrahexylammonium Hydroxide (10% in Methanol) molecular structure lightbox
CAS RN: 17756-56-8

Tetrahexylammonium Hydroxide (10% in Methanol)

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  • Product code: ICTT1134
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17756-56-8 / tetrahexylazanium hydroxide

Standard CAS: 17756-56-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17756-56-8
Multi CAS
No
Molecular Formula
C24H53NO
Molecular Weight
371.700000
Exact Mass
371.412715
SMILES
CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[OH-]
InChI
InChI=1S/C24H52N.H2O/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H2/q+1;/p-1
InChIKey
JCJNUSDBRRKQPC-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
20
H-bond acceptors
1
H-bond donors
1
Molar refractivity
118.23
TPSA
30

LogP / Solubility

WLOGP
7.95
MLOGP
7.01
XLogP3
7.95
Consensus LogP
7.64
Log S (ESOL)
-5.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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