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CAS 10060-13-6 Ammonium cupric chloride dihydrate molecular structure lightbox
CAS RN: 10060-13-6

Ammonium cupric chloride dihydrate

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  • Product code: starshine_CAS10060-13-6
  • Purity/Analytical Methods: >99.0%
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10060-13-6 / diazanium;tetrachlorocopper(2-);dihydrate

Ammonium tetrachlorocuprate(II) dihydrate | RefChem:557840 | 680-970-5

Standard CAS: 10060-13-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10060-13-6
Multi CAS
Yes
Molecular Formula
Cl4CuH12N2O2
Molecular Weight
277.500000
Exact Mass
276.891935
SMILES
[NH4+].[NH4+].O.O.Cl[Cu-2](Cl)(Cl)Cl
InChI
InChI=1S/4ClH.Cu.2H3N.2H2O/h4*1H;;2*1H3;2*1H2/q;;;;+2;;;;/p-2
InChIKey
LLMDTWKBBWCWNN-UHFFFAOYSA-L
Synonyms
Ammonium tetrachlorocuprate(II) dihydrate RefChem:557840 680-970-5 Ammonium copper(II) chloride dihydrate Cuprate(2-), tetrachloro-, diammonium, dihydrate (8CI,9CI)

Computed Properties

Structural Parameters

Heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.61
TPSA
136

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.86
Consensus LogP
1.79
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-3.09

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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