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436086-79-2

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Basic Information
CAS No.: 436086-79-2
Name: BENZYL-(3-FLUORO-BENZYL)-AMINE
Molecular Structure:
Molecular Structure of 436086-79-2 (BENZYL-(3-FLUORO-BENZYL)-AMINE)
Formula: C14H15FN
Molecular Weight: 216.2735
Synonyms: ZINC00250769;
Boiling Point: 303.4 °C at 760 mmHg
Flash Point: 137.3 °C
Hazard Symbols: IrritantXi
PSA: 12.03000
LogP: 3.50640
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  • Benzenemethanamine,3-fluoro-N-(phenylmethyl)-

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    Benzenemethanamine,3-fluoro-N-(phenylmethyl)-

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Specification

The Benzenemethanamine,3-fluoro-N-(phenylmethyl)-, with the CAS registry number 436086-79-2, is also known as ZINC00250769. This chemical's molecular formula is C14H15FN and molecular weight is 216.2735. Its IUPAC name is called benzyl-[(3-fluorophenyl)methyl]azanium. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. 

Physical properties of Benzenemethanamine,3-fluoro-N-(phenylmethyl)-: (1)ACD/LogP: 3.47; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 4; (5)Flash Point: 137.3 °C; (6)Enthalpy of Vaporization: 54.37 kJ/mol; (7)Boiling Point: 303.4 °C at 760 mmHg; (8)Vapour Pressure: 0.000934 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C[NH2+]CC2=CC(=CC=C2)F
(2)InChI: InChI=1S/C14H14FN/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2/p+1
(3)InChIKey: XBXOBRJGFVKXGW-UHFFFAOYSA-O