The molecular structure of N-Benzyltropinone (28957-72-4):
IUPAC Name: 8-Benzyl-8-azabicyclo[3.2.1]octan-3-one
Molecular Weight: 215.29088 g/mol
Molecular Formula: C14H17NO
Density: 1.14 g/cm3
Melting Point: 28-29 °C
Boiling Point: 342.9 °C at 760 mmHg
Flash Point: 151 °C
Index of Refraction: 1.584
Molar Refractivity: 63.19 cm3
Molar Volume: 188.8 cm3
Surface Tension: 46.3 dyne/cm
Enthalpy of Vaporization: 58.68 kJ/mol
Vapour Pressure: 7.27E-05 mmHg at 25 °C
XLogP3-AA: 1.8
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 215.131014
MonoIsotopic Mass: 215.131014
Topological Polar Surface Area: 20.3
Heavy Atom Count: 16
Canonical SMILES: C1CC2CC(=O)CC1N2CC3=CC=CC=C3
InChI: InChI=1S/C14H17NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKey: RSUHKGOVXMXCND-UHFFFAOYSA-N
EINECS: 249-329-3
Product Categories: Heterocycles series; pharmacetical; Heterocycle; Various Intermediates; Intermediates; Miscellaneous Reagents
Hazard Codes: C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 23-26-36/37/39-45
S23:Do not breathe vapour.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
N-Benzyltropinone (28957-72-4) is also named as 8-azabicyclo[3.2.1]octan-3-one, 8-(phenylmethyl)- ; 8-Benzyl-8-azabicyclo(3.2.1)octan-3-one ; 8-Benzyl-8-azabicyclo[3.2.1]octan-3-on . N-Benzyltropinone (28957-72-4) is off-white to pale yellow low-melting solid.
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