ChemSpider 2D Image | N-Isopropyl-N-[4-(methylsulfanyl)benzyl]-1,2-ethanediamine | C13H22N2S

N-Isopropyl-N-[4-(methylsulfanyl)benzyl]-1,2-ethanediamine

  • Molecular FormulaC13H22N2S
  • Average mass238.392 Da
  • Monoisotopic mass238.150375 Da
  • ChemSpider ID28301678

More details:

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

1,2-Ethanediamine, N1-(1-methylethyl)-N1-[[4-(methylthio)phenyl]methyl]- [ACD/Index Name]
N-Isopropyl-N-[4-(methylsulfanyl)benzyl]-1,2-ethandiamin [German] [ACD/IUPAC Name]
N-Isopropyl-N-[4-(methylsulfanyl)benzyl]-1,2-ethanediamine [ACD/IUPAC Name]
N-Isopropyl-N-[4-(méthylsulfanyl)benzyl]-1,2-éthanediamine [French] [ACD/IUPAC Name]
(2-AMINOETHYL)({[4-(METHYLSULFANYL)PHENYL]METHYL})(PROPAN-2-YL)AMINE
(2-AMINOETHYL)(ISOPROPYL){[4-(METHYLSULFANYL)PHENYL]METHYL}AMINE
1353959-16-6 [RN]
MFCD21096963
N*1*-Isopropyl-N*1*-(4-methylsulfanylbenzyl)ethane-1,2-diamine
N*1*-Isopropyl-N*1*-(4-methylsulfanyl-benzyl)-ethane-1,2-diamine
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 327.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 152.1±23.7 °C
Index of Refraction: 1.564
Molar Refractivity: 74.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.91
Polar Surface Area: 55 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 229.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement