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CAS 12030-85-2 POTASSIUM NIOBATE molecular structure lightbox
CAS RN: 12030-85-2

POTASSIUM NIOBATE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251216 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS12030-85-2
  • Purity/Analytical Methods: >99.0%
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12030-85-2 / octapotassium;hexakis(niobium(5+));nonadecakis(oxygen(2-))

potassium;niobium(5+);oxygen(2-) | potassium;oxido(dioxo)niobium | Niobate, octapotasium

Standard CAS: 12030-85-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
12030-85-2
Multi CAS
Yes
Molecular Formula
K8Nb6O19
Molecular Weight
1174.210000
Exact Mass
1173.051270
SMILES
[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5].[Nb+5]
InChI
InChI=1S/8K.6Nb.19O/q8*+1;6*+5;19*-2
InChIKey
GCDFIJPZDKYCQY-UHFFFAOYSA-N
Synonyms
potassium;niobium(5+);oxygen(2-) potassium;oxido(dioxo)niobium Niobate, octapotasium Niobium potassium oxide EINECS 234-744-4

Physical Properties

Physical Description
Powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
33
H-bond acceptors
19
Molar refractivity
13.04
TPSA
541.5

LogP / Solubility

WLOGP
-26.24
MLOGP
-22.97
XLogP3
-26.24
Consensus LogP
-25.15
Log S (ESOL)
9.41
Class (ESOL)
Highly soluble
Log S (Ali)
9.76
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
14.49
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)
-28.51

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501

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