ChemSpider 2D Image | tert-Butyl 4-(4-aminopyrimidin-2-yl)piperazine-1-carboxylate | C13H21N5O2

tert-Butyl 4-(4-aminopyrimidin-2-yl)piperazine-1-carboxylate

  • Molecular FormulaC13H21N5O2
  • Average mass279.338 Da
  • Monoisotopic mass279.169525 Da
  • ChemSpider ID24597939

More details:

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

1041054-18-5 [RN]
1-Piperazinecarboxylic acid, 4-(4-amino-2-pyrimidinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(4-amino-2-pyrimidinyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(4-amino-2-pyrimidinyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(4-Amino-2-pyrimidinyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-(4-aminopyrimidin-2-yl)piperazine-1-carboxylate
[1041054-18-5] [RN]
1-Boc-4-(4-Aminopyrimidin-2-yl)piperazine
4-(4-AMINOPYRIMIDIN-2-YL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
BR-22215
More...

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

CCRIS 4693 [DBID]
  • Miscellaneous

    • Appearance:

      Not Available Novochemy [NC-02009]

    • Safety:

      20/21/22 Novochemy [NC-02009]
      20/21/36/37/39 Novochemy [NC-02009]
      GHS07; GHS09 Novochemy [NC-02009]
      H304; H403 Novochemy [NC-02009]
      IRRITANT Matrix Scientific 101925
      P332+P313; P305+P351+P338 Novochemy [NC-02009]
      R22 Novochemy [NC-02009]
      TBC SynQuest 4H51-1-3Q
      Warning Novochemy [NC-02009]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 467.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 236.7±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 21.51
Polar Surface Area: 85 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 228.7±3.0 cm3

Click to predict properties on the Chemicalize site


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