Found 16423 results

Search term: MF = 'C_{16}H_{21}NO_{3}'

ChemSpider 2D Image | 2-Methyl-2-propanyl 7-acetyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate | C16H21NO3

2-Methyl-2-propanyl 7-acetyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate

  • Molecular FormulaC16H21NO3
  • Average mass275.343 Da
  • Monoisotopic mass275.152130 Da
  • ChemSpider ID28420316

More details:






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

2(1H)-Isoquinolinecarboxylic acid, 7-acetyl-3,4-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 7-acetyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-7-acetyl-3,4-dihydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]
7-Acétyl-3,4-dihydro-2(1H)-isoquinoléinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
[149353-74-2]
149353-74-2 [RN]
MFCD12408148
tert-Butyl 7-acetyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
tert-Butyl7-acetyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
TERT-BUTYL-7-ACETYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 415.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 205.0±28.7 °C
Index of Refraction: 1.537
Molar Refractivity: 76.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 171.92
ACD/KOC (pH 5.5): 1385.68
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 171.92
ACD/KOC (pH 7.4): 1385.68
Polar Surface Area: 47 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 246.0±3.0 cm3

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