ChemSpider 2D Image | Benzyl 3-(hydroxymethyl)-1-azetidinecarboxylate | C12H15NO3

Benzyl 3-(hydroxymethyl)-1-azetidinecarboxylate

  • Molecular FormulaC12H15NO3
  • Average mass221.252 Da
  • Monoisotopic mass221.105194 Da
  • ChemSpider ID23960673

More details:






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

[618446-42-7]
1-Cbz-3-(hydroxymethyl)azetidin e
1-Cbz-3-(hydroxymethyl)azetidine
1-CBZ-AZETIDINE-3-YL METHANOL
3-Hydroxymethyl-azetidine-1-carboxylic acid benzyl ester
618446-42-7 [RN]
'618446-42-7
benzyl 3-(hydroxymethyl)azetidine-1-carboxylate
benzyl3-(hydroxymethyl)azetidine-1-carboxylate
http://en.atomaxchem.com/618446-42-7.html
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 367.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 176.1±23.2 °C
Index of Refraction: 1.574
Molar Refractivity: 59.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.09
ACD/KOC (pH 5.5): 111.48
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.09
ACD/KOC (pH 7.4): 111.48
Polar Surface Area: 50 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 178.9±3.0 cm3

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