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Search term: MRTCFHYZEYSLIF-HNNXBMFYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (S)-N-(3-(((Pyrrolidin-2-Ylmethyl)amino)methyl)phenyl)thiophene-2-Carboximidamide | C17H22N4S

(S)-N-(3-(((Pyrrolidin-2-Ylmethyl)amino)methyl)phenyl)thiophene-2-Carboximidamide

  • Molecular FormulaC17H22N4S
  • Average mass314.448 Da
  • Monoisotopic mass314.156525 Da
  • ChemSpider ID35036011

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-N-(3-(((Pyrrolidin-2-Ylmethyl)amino)methyl)phenyl)thiophene-2-Carboximidamide
2-Thiophenecarboximidamide, N-[3-[[[(2S)-2-pyrrolidinylmethyl]amino]methyl]phenyl]- [ACD/Index Name]
N-[3-({[(2S)-2-Pyrrolidinylmethyl]amino}methyl)phenyl]-2-thiophencarboximidamid [German] [ACD/IUPAC Name]
N-[3-({[(2S)-2-Pyrrolidinylmethyl]amino}methyl)phenyl]-2-thiophenecarboximidamide [ACD/IUPAC Name]
N-[3-({[(2S)-2-Pyrrolidinylméthyl]amino}méthyl)phényl]-2-thiophènecarboximidamide [French] [ACD/IUPAC Name]
H49

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

Density: 1.3±0.1 g/cm3
Boiling Point: 457.0±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 230.2±30.9 °C
Index of Refraction: 1.672
Molar Refractivity: 92.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -2.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 246.2±7.0 cm3

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