ChemSpider 2D Image | (S)-Benzyl (1-(((6-chloropyridin-3-yl)methyl)(methyl)amino)-1-oxopropan-2-yl)carbamate | C18H20ClN3O3

(S)-Benzyl (1-(((6-chloropyridin-3-yl)methyl)(methyl)amino)-1-oxopropan-2-yl)carbamate

  • Molecular FormulaC18H20ClN3O3
  • Average mass361.823 Da
  • Monoisotopic mass361.119324 Da
  • ChemSpider ID28540280

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-Benzyl (1-(((6-chloropyridin-3-yl)methyl)(methyl)amino)-1-oxopropan-2-yl)carbamate
[(2S)-1-{[(6-Chloro-3-pyridinyl)méthyl](méthyl)amino}-1-oxo-2-propanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
1421011-75-7 [RN]
Benzyl [(2S)-1-{[(6-chloro-3-pyridinyl)methyl](methyl)amino}-1-oxo-2-propanyl]carbamate [ACD/IUPAC Name]
Benzyl-[(2S)-1-{[(6-chlor-3-pyridinyl)methyl](methyl)amino}-1-oxo-2-propanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-2-[[(6-chloro-3-pyridinyl)methyl]methylamino]-1-methyl-2-oxoethyl]-, phenylmethyl ester [ACD/Index Name]
{(S)-1-[(6-Chloro-pyridin-3-ylmethyl)-methyl-carbamoyl]-ethyl }-carbamic acid benzyl ester
{(S)-1-[(6-Chloropyridin-3-ylmethyl)methyl-carbamoyl]ethyl}carbamic acid benzyl ester
{(S)-1-[(6-Chloro-pyridin-3-ylmethyl)-methyl-carbamoyl]-ethyl}-carbamic acid benzyl ester
BENZYL N-[(1S)-1-{[(6-CHLOROPYRIDIN-3-YL)METHYL](METHYL)CARBAMOYL}ETHYL]CARBAMATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 562.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.7±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.51
ACD/KOC (pH 5.5): 526.71
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.50
ACD/KOC (pH 7.4): 526.62
Polar Surface Area: 72 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 287.7±3.0 cm3

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