Found 2536 results

Search term: MF = 'C_{9}H_{12}BrN_{3}O'
ChemSpider 2D Image | N-[(6-Bromo-3-pyridinyl)methyl]alaninamide | C9H12BrN3O

N-[(6-Bromo-3-pyridinyl)methyl]alaninamide

  • Molecular FormulaC9H12BrN3O
  • Average mass258.115 Da
  • Monoisotopic mass257.016357 Da
  • ChemSpider ID27847145

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-[(6-Brom-3-pyridinyl)methyl]alaninamid [German] [ACD/IUPAC Name]
N-[(6-Bromo-3-pyridinyl)methyl]alaninamide [ACD/IUPAC Name]
N-[(6-Bromo-3-pyridinyl)méthyl]alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-amino-N-[(6-bromo-3-pyridinyl)methyl]-, (2S)- [ACD/Index Name]
(2S)-2-AMINO-N-[(6-BROMOPYRIDIN-3-YL)METHYL]PROPANAMIDE
(S)-2-Amino-N-((6-bromopyridin-3-yl)methyl)propanamide
(S)-2-Amino-N-(6-bromopyridin-3-ylmethyl)propanamide
(S)-2-Amino-N-(6-bromo-pyridin-3-ylmethyl)-propionamide
1354017-31-4 [RN]
MFCD21097296

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

Density: 1.5±0.1 g/cm3
Boiling Point: 473.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 240.0±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 58.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.30
ACD/LogD (pH 5.5): -2.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.75
Polar Surface Area: 68 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 174.7±3.0 cm3

Click to predict properties on the Chemicalize site


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