ChemSpider 2D Image | MFCD11044869 | C15H21N3O2

MFCD11044869

  • Molecular FormulaC15H21N3O2
  • Average mass275.346 Da
  • Monoisotopic mass275.163391 Da
  • ChemSpider ID22369616

More details:

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

144657-65-8 [RN]
1-Boc-3-[(dimethylamino)methyl]-7-azaindole
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-[(dimethylamino)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
1-tert-Butoxycarbonyl-3-[(dimethylamino)methyl]-7-azaindole
2-Methyl-2-propanyl 3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
3-[(Diméthylamino)méthyl]-1H-pyrrolo[2,3-b]pyridine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3-Dimethylaminomethyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester
MFCD11044869
tert-Butyl 3-((dimethylamino)methyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 373.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 179.6±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 79.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 3.34
ACD/KOC (pH 7.4): 37.63
Polar Surface Area: 47 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 37.5±7.0 dyne/cm
Molar Volume: 248.2±7.0 cm3

Click to predict properties on the Chemicalize site


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