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CAS 31432-44-7 CALCIUM NITRATE-15N molecular structure lightbox
CAS RN: 31432-44-7

CALCIUM NITRATE-15N

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  • Product code: starshine_CAS31432-44-7
  • Purity/Analytical Methods: >99.0%
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31432-44-7 / calcium dinitrate

Standard CAS: 31432-44-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
31432-44-7
Multi CAS
Yes
Molecular Formula
CAN2O6
Molecular Weight
164.090000
Exact Mass
163.938227
InChI
InChI=1S/Ca.2NO3/c;2*2-1(3)4/q+2;2*-1/i;2*1+1
InChIKey
ZCCIPPOKBCJFDN-IMSGLENWSA-N

Physical Properties

Melting Point
1042 °F (USCG, 1999) About 560 °C 560 °C
Density
2.5 at 64.4 °F (USCG, 1999) - Denser than water; will sink 2.5 @ 25 °C /Tetrahydrate/ MP= 42 °C; Density 1.82 /tetrahydrate/ 2.50 g/cm³
Physical Description
Calcium nitrate appears as white to light gray granular solid. May be either the anhydrous compound or the tetrahydrate. Used in fertilizers, explosives and pyrotechnics. Water or Solvent Wet Solid; Dry Powder; Liquid; Other Solid; NKRA; Pellets or Large Crystals; Dry Powder, Liquid White granules or crystals (tends to absorb water from air and become liquid); COLOURLESS-TO-WHITE HYGROSCOPIC CRYSTALS.
Appearance
Deliquescent granules White, cubic crystals White mass
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
H-bond acceptors
6
Molar refractivity
26.48
TPSA
132.4

LogP / Solubility

WLOGP
-0.86
MLOGP
-0.76
XLogP3
-0.86
Consensus LogP
-0.83
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.29
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.01
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)
-4.33

Drug-likeness / Medicinal Chemistry

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

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