N-Benzyltropinone supplier | CasNO.28957-72-4

Name
N-Benzyltropinone
EINECS 249-329-3
CAS No. 28957-72-4
Article Data66
CAS DataBase
Density 1.14 g/cm³
Solubility
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
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;
PSA 20.31000
LogP 2.32040

N-Benzyltropinone Chemical Properties

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

N-Benzyltropinone Safety Profile

Hazard Codes: Corrosive 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.

Product Name

N-Benzyltropinone

N-Benzyltropinone Chemical Properties

N-Benzyltropinone Safety Profile

N-Benzyltropinone Specification

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