ChemSpider 2D Image | 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+) | C16H23INO

2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+)

  • Molecular FormulaC16H23INO
  • Average mass372.264 Da
  • Monoisotopic mass372.081879 Da
  • ChemSpider ID27471385

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+)
2-Naphthalenol, 5,6,7,8-tetrahydro-7-[[(2E)-3-iodo-2-propen-1-yl]propylamino]-, conjugate acid [ACD/Index Name]
7-Hydroxy-N-[(2E)-3-iod-2-propen-1-yl]-N-propyl-1,2,3,4-tetrahydro-2-naphthalinaminium [German] [ACD/IUPAC Name]
7-Hydroxy-N-[(2E)-3-iodo-2-propén-1-yl]-N-propyl-1,2,3,4-tétrahydro-2-naphtalénaminium [French] [ACD/IUPAC Name]
7-Hydroxy-N-[(2E)-3-iodo-2-propen-1-yl]-N-propyl-1,2,3,4-tetrahydro-2-naphthalenaminium [ACD/IUPAC Name]
2-{[(2E)-3-iodoallyl](propyl)ammonio}tetralin-7-ol(1+)
7-hydroxy-N-[(2E)-3-iodoprop-2-en-1-yl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-aminium

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:64138 [DBID]
  • Miscellaneous

    • Chemical Class:

      An organic cation that is the conjugate acid of 2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol, arising from protonation of the tertiary amino function. ChEBI CHEBI:64138

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 445.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 222.9±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 19.06
ACD/KOC (pH 5.5): 79.43
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 783.69
ACD/KOC (pH 7.4): 3265.48
Polar Surface Area: 25 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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