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Search term: TVJUZDQYBVCQIX-ZETCQYMHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-4-(3,4-Difluorophenyl)-2-butanamine | C10H13F2N

(2S)-4-(3,4-Difluorophenyl)-2-butanamine

  • Molecular FormulaC10H13F2N
  • Average mass185.214 Da
  • Monoisotopic mass185.101608 Da
  • ChemSpider ID65336208

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-(3,4-Difluorophenyl)-2-butanamine [ACD/IUPAC Name]
(2S)-4-(3,4-Difluorophényl)-2-butanamine [French] [ACD/IUPAC Name]
(2S)-4-(3,4-Difluorphenyl)-2-butanamin [German] [ACD/IUPAC Name]
Benzenepropanamine, 3,4-difluoro-α-methyl-, (αS)- [ACD/Index Name]
(2S)-4-(3,4-difluorophenyl)butan-2-amine
1344438-46-5 [RN]
MFCD21357381

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

Density: 1.1±0.1 g/cm3
Boiling Point: 235.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.2±3.0 kJ/mol
Flash Point: 117.0±11.6 °C
Index of Refraction: 1.491
Molar Refractivity: 48.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 26 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 167.7±3.0 cm3

Click to predict properties on the Chemicalize site


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