ChemSpider 2D Image | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER | C26H31N3O3

3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER

  • Molecular FormulaC26H31N3O3
  • Average mass433.543 Da
  • Monoisotopic mass433.236542 Da
  • ChemSpider ID25060677

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-3-[7-(Diaminométhyl)-2-naphtyl]-2-{4-[(3S)-3-pyrrolidinyloxy]phényl}propanoate d'éthyle [French] [ACD/IUPAC Name]
2-Naphthalenepropanoic acid, 7-(diaminomethyl)-α-[4-[(3S)-3-pyrrolidinyloxy]phenyl]-, ethyl ester, (αS)- [ACD/Index Name]
3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER
Ethyl (2S)-3-[7-(diaminomethyl)-2-naphthyl]-2-{4-[(3S)-3-pyrrolidinyloxy]phenyl}propanoate [ACD/IUPAC Name]
Ethyl-(2S)-3-[7-(diaminomethyl)-2-naphthyl]-2-{4-[(3S)-3-pyrrolidinyloxy]phenyl}propanoat [German] [ACD/IUPAC Name]
ethyl (2S)-3-[7-(diaminomethyl)naphthalen-2-yl]-2-{4-[(3S)-pyrrolidin-3-yloxy]phenyl}propanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 318.8±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 127.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.29
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 360.0±3.0 cm3

Click to predict properties on the Chemicalize site


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