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CAS 100587-94-8 LANTHANUM NITRATE HYDRATE molecular structure lightbox
CAS RN: 100587-94-8

LANTHANUM NITRATE HYDRATE

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  • Product code: starshine_CAS100587-94-8
  • Purity/Analytical Methods: >99.0%
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100587-94-8 / lanthanum(3+);trinitrate;hydrate

Lanthanum(III) nitrate hydrate | RefChem:798494 | 683-072-1

Standard CAS: 100587-94-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
100587-94-8
Multi CAS
Yes
Molecular Formula
H2LaN3O10
Molecular Weight
342.940000
Exact Mass
342.880381
SMILES
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[La+3]
InChI
InChI=1S/La.3NO3.H2O/c;3*2-1(3)4;/h;;;;1H2/q+3;3*-1;
InChIKey
HVMFKXBHFRRAAD-UHFFFAOYSA-N
Synonyms
Lanthanum(III) nitrate hydrate RefChem:798494 683-072-1 LANTHANUM NITRATE HYDRATE lanthanum(3+);trinitrate;hydrate

Computed Properties

Structural Parameters

Heavy atom count
14
H-bond acceptors
9
H-bond donors
1
Molar refractivity
34.7
TPSA
230.1

LogP / Solubility

WLOGP
-1.54
MLOGP
-1.34
XLogP3
-1.54
Consensus LogP
-1.47
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-5.91

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Oxidizer Irritant
Signal
Danger
GHS Hazard Statements
H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P220, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501

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