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CAS 28788-42-3 DECAHYDRONAPHTHALENE-D18 molecular structure lightbox
CAS RN: 28788-42-3

DECAHYDRONAPHTHALENE-D18

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250512 1g In stock Shandong, Guangdong Inquiry
Batchno.20260126 250mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS28788-42-3
  • Purity/Analytical Methods: >99.0%
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28788-42-3 / 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

Standard CAS: 28788-42-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
28788-42-3
Multi CAS
Yes
Molecular Formula
C10H18
Molecular Weight
138.250000
Exact Mass
138.140851
InChI
InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D,10D
InChIKey
NNBZCPXTIHJBJL-XRRAJICISA-N

Physical Properties

Melting Point
-44 °F (USCG, 1999) -43 °C -40 °C
Boiling Point
383 °F at 760 mmHg (USCG, 1999) 155.5 °C 185-195 °C
Density
0.89 at 68 °F (USCG, 1999) - Less dense than water; will float 0.8965 @ 22 °C Vapor density: 4.77 (air= 1) /Trans-isomer/ Liquid water interfacial tension: 51.5 dynes/cm= 0.0515 N/m at 20 °C; liquid heat capacity= 0.391 BTU/lb-deg F @ 70 °F; liquid thermal conductivity= 0.735 BTU-in/hr-sq ft-deg F at 135 °C; saturated vapor density= 0.00269 lb/cu ft @ 130 °F Relative density (water = 1): 0.87-0.90
Physical Description
Decahydronaphthalene appears as a clear colorless liquid with an aromatic odor. Flash point 134 °F. Less dense than water and insoluble in water. Vapors heavier than air. Liquid Clear liquid with an aromatic odor; [CAMEO] Colorless liquid; Liquid; [Merck Index] Clear colorless liquid
Appearance
Clear colorless liquid Water-white liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Molar refractivity
43.92
TPSA
0.0000

LogP / Solubility

WLOGP
3.37
MLOGP
2.96
XLogP3
4.6
Consensus LogP
3.64
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.17

Drug-likeness / Medicinal Chemistry

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

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