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CAS 25162-00-9 (+)-NICOTINE-(+)-DI-P-TOLUOYL TARTRATE molecular structure lightbox
CAS RN: 25162-00-9

(+)-NICOTINE-(+)-DI-P-TOLUOYL TARTRATE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250917 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS25162-00-9
  • Purity/Analytical Methods: >99.0%
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25162-00-9 / 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

Standard CAS: 25162-00-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
25162-00-9
Multi CAS
No
Molecular Formula
C10H14N2
Molecular Weight
162.230000
Exact Mass
162.115698
SMILES
CN1CCC[C@H]1C2=CN=CC=C2
InChI
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
InChIKey
SNICXCGAKADSCV-JTQLQIEISA-N

Physical Properties

Melting Point
-110 °F (EPA, 1998) -79 °C -110 °F
Boiling Point
476.1 °F at 745 mmHg (EPA, 1998) 247 °C; 125 deg at 18 mm Hg 249 °C 476.1 °F at 745 mmHg 482 °F (Decomposes)
Density
1.0097 at 68 °F (EPA, 1998) - Denser than water; will sink 1.00925 at 20 °C/4 °C Relative density (water = 1): 1.01 1.01
Physical Description
Nicotine appears as a colorless to light yellow or brown liquid. Combustible. Toxic by inhalation and by skin absorption. Produces toxic oxides of nitrogen during combustion. Pale-yellow to dark-brown liquid with a fish-like odor when warm. [insecticide] [NIOSH] Liquid OILY COLOURLESS HYGROSCOPIC LIQUID WITH CHARACTERISTIC ODOUR. TURNS BROWN ON EXPOSURE TO AIR. Pale-yellow to dark-brown liquid with a fish-like odor when warm.
Appearance
Colorless to pale yellow, oily liquid Thick, water-white, levarotatory oil turning brown on exposure to air Pale-yellow to dark brown liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.84
TPSA
16.13

LogP / Solubility

WLOGP
1.85
MLOGP
1.62
XLogP3
1.2
Consensus LogP
1.56
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately 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)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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