ChemSpider 2D Image | PTI-1 | C21H29N3S

PTI-1

  • Molecular FormulaC21H29N3S
  • Average mass355.540 Da
  • Monoisotopic mass355.208221 Da
  • ChemSpider ID58827850

More details:

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

1400742-46-2 [RN]
4-Thiazolemethanamine, N,N-diethyl-2-(1-pentyl-1H-indol-3-yl)- [ACD/Index Name]
FSE9R26430
N,N-Diethyl-2-(1-pentyl-1H-indol-3-yl)-4-thiazolemethanamine
N-Ethyl-N-{[2-(1-pentyl-1H-indol-3-yl)-1,3-thiazol-4-yl]methyl}ethanamin [German] [ACD/IUPAC Name]
N-Ethyl-N-{[2-(1-pentyl-1H-indol-3-yl)-1,3-thiazol-4-yl]methyl}ethanamine [ACD/IUPAC Name]
N-Éthyl-N-{[2-(1-pentyl-1H-indol-3-yl)-1,3-thiazol-4-yl]méthyl}éthanamine [French] [ACD/IUPAC Name]
PTI-1 [Wiki]
UNII:FSE9R26430
N,N-diethyl-2-(1-pentyl-1H-indol-3-yl)-4-tiazol-metanamine [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 499.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.7±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 109.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 53.19
ACD/KOC (pH 5.5): 95.35
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 1985.06
ACD/KOC (pH 7.4): 3558.82
Polar Surface Area: 49 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 323.2±7.0 cm3

Click to predict properties on the Chemicalize site


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