CAS RN: 1318-00-9
VERMICULITE
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- Product code: starshine_CAS1318-00-9
- Purity/Analytical Methods: >99.0%
1318-00-9 / VERMICULITE
Basic Information
CAS
1318-00-9
Multi CAS
No
Molecular Formula
AlFeH3MgO6Si-3
Molecular Weight
234.240000
Exact Mass
233.871405
SMILES
O.[OH-].[O].[O-][Si](=O)[O-].[Mg].[Al].[Fe]
InChI
InChI=1S/Al.Fe.Mg.O3Si.2H2O.O/c;;;1-4(2)3;;;/h;;;;2*1H2;/q;;;-2;;;/p-1
InChIKey
CLRQDEYEBLCJFZ-UHFFFAOYSA-M
Physical Properties
Physical Description
A hydrated magnesium-iron-aluminum silicate that expands up to 20 times when heated to 1093 degrees C; [Hawley]
Computed Properties
Structural Parameters
Heavy atom count
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
24.18
TPSA
153.19
LogP / Solubility
WLOGP
-4.76
MLOGP
-4.19
XLogP3
-4.76
Consensus LogP
-4.57
Log S (ESOL)
1.71
Class (ESOL)
Highly soluble
Log S (Ali)
1.96
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.77
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)
-7.53
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
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (32.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (32.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501
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- Product Code: starshine_CAS1318-23-6
- Purity/Analytical method: >99.0%
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