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Cas Database |
| Name |
N-Benzyltropinone |
EINECS | 249-329-3 |
| CAS No. | 28957-72-4 | Density | 1.14 g/cm3 |
| PSA | 20.31000 | LogP | 2.32040 |
| Solubility | N/A | Melting Point |
28-29 °C |
| Formula | C14H17NO | Boiling Point | 342.9 °C at 760 mmHg |
| Molecular Weight | 215.295 | Flash Point | 151 °C |
| Transport Information | N/A | Appearance | off-white to pale yellow low-melting solid |
| Safety | 23-26-36/37/39-45 | Risk Codes | 34 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
1aH,5aH-Tropan-3-one, 9-phenyl- (8CI);3-Nortropanone,8-benzyl- (6CI,7CI);8-(Phenylmethyl)-8-azabicyclo[3.2.1]octan-3-one;8-Benzyl-1aH,5aH-nortropan-3-one;8-Benzyl-3-nortropanone;8-Benzyl-8-azabicyclo[3.2.1]octan-3-one;8-Benzylbicyclo[3.2.1]octan-3-one;N-Benzyl-3-tropinone; |
Article Data | 66 |
N-Benzyltropinone Chemical Properties
The molecular structure of N-Benzyltropinone (28957-72-4):
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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
N-Benzyltropinone Safety Profile
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 Specification
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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