ChemSpider 2D Image | Isopropyl (2Z)-3-[(N-~2~H_1_)amino]-2-butenoate | C7H12DNO2

Isopropyl (2Z)-3-[(N-2H1)amino]-2-butenoate

  • Molecular FormulaC7H12DNO2
  • Average mass144.190 Da
  • Monoisotopic mass144.100906 Da
  • ChemSpider ID62971413

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2Z)-3-[(N-2H1)Amino]-2-buténoate d'isopropyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 3-(amino-d)-, 1-methylethyl ester, (2Z)- [ACD/Index Name]
2-Butenoic acid, 3-(amino-d)-, 1-methylethyl ester, (Z)-
40100-33-2 [RN]
Isopropyl (2Z)-3-[(N-2H1)amino]-2-butenoate [ACD/IUPAC Name]
Isopropyl-(2Z)-3-[(N-2H1)amino]-2-butenoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 254.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.2±3.0 kJ/mol
Flash Point: 92.2±0.0 °C
Index of Refraction: 1.459
Molar Refractivity: 39.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 42.06
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.74
ACD/KOC (pH 7.4): 71.39
Polar Surface Area: 52 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 145.0±3.0 cm3

Click to predict properties on the Chemicalize site


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