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13452-69-2

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Basic Information
CAS No.: 13452-69-2
Name: N,N-bis(2-fluoroethyl)-3-methylaniline
Molecular Structure:
Molecular Structure of 13452-69-2 (N,N-bis(2-fluoroethyl)-3-methylaniline)
Formula: C11H15F2N
Molecular Weight: 199.24
Synonyms: m-Toluidine,N,N-bis(2-fluoroethyl)- (8CI);NSC 82275;N,N-Bis(2-fluoroethyl)-3-methylaniline;
Density: 1.061 g/cm3
Boiling Point: 279.2 °C at 760 mmHg
Flash Point: 122.6 °C
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Specification

The Benzenamine,N,N-bis(2-fluoroethyl)-3-methyl-, with the CAS registry number 13452-69-2, is also known as m-Toluidine,N,N-bis(2-fluoroethyl)- (8CI). This chemical's molecular formula is C11H15F2N and molecular weight is 199.24. What's more, its systematic name is N,N-bis(2-fluoroethyl)-3-methylaniline.

Physical properties of Benzenamine,N,N-bis(2-fluoroethyl)-3-methyl- are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.497; (8)Molar Refractivity: 54.98 cm3; (9)Molar Volume: 187.6 cm3; (10)Polarizability: 21.79×10-24cm3; (11)Surface Tension: 31.8 dyne/cm; (12)Density: 1.061 g/cm3; (13)Flash Point: 122.6 °C; (14)Enthalpy of Vaporization: 51.78 kJ/mol; (15)Boiling Point: 279.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00408 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FCCN(c1cc(ccc1)C)CCF
(2)InChI: InChI=1S/C11H15F2N/c1-10-3-2-4-11(9-10)14(7-5-12)8-6-13/h2-4,9H,5-8H2,1H3
(3)InChIKey: ZRONTTDZOLEQPQ-UHFFFAOYSA-N