ChemSpider 2D Image | (S)-arpromidine | C21H25FN6

(S)-arpromidine

  • Molecular FormulaC21H25FN6
  • Average mass380.462 Da
  • Monoisotopic mass380.212463 Da
  • ChemSpider ID34987634

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-arpromidine
1-[(3S)-3-(4-Fluorophenyl)-3-(2-pyridinyl)propyl]-3-[3-(1H-imidazol-5-yl)propyl]guanidine [ACD/IUPAC Name]
1-[(3S)-3-(4-Fluorophényl)-3-(2-pyridinyl)propyl]-3-[3-(1H-imidazol-5-yl)propyl]guanidine [French] [ACD/IUPAC Name]
1-[(3S)-3-(4-Fluorphenyl)-3-(2-pyridinyl)propyl]-3-[3-(1H-imidazol-5-yl)propyl]guanidin [German] [ACD/IUPAC Name]
Guanidine, N-[(3S)-3-(4-fluorophenyl)-3-(2-pyridinyl)propyl]-N'-[3-(1H-imidazol-5-yl)propyl]- [ACD/Index Name]
106669-71-0 [RN]
arpromidine [INN]
ARPROMIDINE, (S)-
UNII-85713MT0EH

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

LEQ6U59G0J [DBID]
UNII:LEQ6U59G0J [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 591.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.2±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 108.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.45
Polar Surface Area: 89 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 308.2±7.0 cm3

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