CAS RN: 13778-31-9

COPPER(II) NITRATE HYDRATE

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  • Product code: starshine_CAS13778-31-9
  • Purity/Analytical Methods: >99.0%
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13778-31-9 / copper;dinitrate;hydrate

Standard CAS: 13778-31-9 Multi CAS: No

Basic Information

CAS
13778-31-9
Multi CAS
No
Molecular Formula
CuH2N2O7
Molecular Weight
205.570000
Exact Mass
204.915798
SMILES
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Cu+2]
InChI
InChI=1S/Cu.2NO3.H2O/c;2*2-1(3)4;/h;;;1H2/q+2;2*-1;
InChIKey
VMKYLARTXWTBPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
H-bond acceptors
6
H-bond donors
1
Molar refractivity
24.34
TPSA
163.9

LogP / Solubility

WLOGP
-1.31
MLOGP
-1.15
XLogP3
-1.31
Consensus LogP
-1.26
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.3
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.09
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)
-4.9

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)
Oxidizer Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (74%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (26%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (97.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P220, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P370+P378, P391, P405, and P501

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