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CAS 13859-68-2 HEXAAMMINENICKEL (II) IODIDE molecular structure lightbox
CAS RN: 13859-68-2

HEXAAMMINENICKEL (II) IODIDE

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250717 1g Out of stock Inquiry
Batchno.20250717 25g Out of stock Inquiry
Batchno.20250519 5g Out of stock Inquiry
  • Product code: SSC-048588
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13859-68-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

13859-68-2 / azane;diiodonickel

Standard CAS: 13859-68-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13859-68-2
Multi CAS
No
Molecular Formula
H18I2N6Ni
Molecular Weight
414.690000
Exact Mass
413.903580
SMILES
N.N.N.N.N.N.[Ni](I)I
InChI
InChI=1S/2HI.6H3N.Ni/h2*1H;6*1H3;/q;;;;;;;;+2/p-2
InChIKey
FQWFGADADYOXJU-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
9
H-bond acceptors
6
H-bond donors
6
Molar refractivity
58.17
TPSA
210

LogP / Solubility

WLOGP
2.74
MLOGP
2.44
XLogP3
2.74
Consensus LogP
2.64
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.3

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 Health Hazard
Signal
Danger
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H350 (100%): May cause cancer [Danger Carcinogenicity]
Precautionary Statement Codes
P203, P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P318, P321, P333+P317, P342+P316, P362+P364, P403, P405, and P501

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