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401567-10-0

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Basic Information
CAS No.: 401567-10-0
Name: 4-Fluoro-n1-methylbenzene-1,2-diamine
Article Data: 13
Molecular Structure:
Molecular Structure of 401567-10-0 (4-Fluoro-n1-methylbenzene-1,2-diamine)
Formula: C7H9FN2
Molecular Weight: 140.16
Synonyms: 4-fluoro-N-1-methyl-benzene-1,2-diamine;4-Fluoro-1-N-methyl-1,2-benzenediamine;4-fluoro-N1-methylbenzol-1,2-diamine;I01-8552;
Density: 1.215 g/cm3
Boiling Point: 249.056 °C at 760 mmHg
Flash Point: 104.426 °C
PSA: 38.05000
LogP: 2.10380
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Specification

The systematic name of this chemical is 4-Fluoro-N1-methylbenzene-1,2-diamine. With the CAS registry number 401567-10-0, it is also named as 4-Fluoro-1-N-methylbenzene-1,2-diamine. In addition, its molecular formula is C7H9FN2 and molecular weight is 140.1582.

Physical properties about the 4-Fluoro-N1-methylbenzene-1,2-diamine are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 93; (8)ACD/KOC (pH 7.4): 152; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.05 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 40.092 cm3; (15)Molar Volume: 115.38 cm3; (16)Surface Tension: 45.173 dyne/cm; (17)Density: 1.215 g/cm3; (18)Flash Point: 104.426 °C; (19)Enthalpy of Vaporization: 48.627 kJ/mol; (20)Boiling Point: 249.056 °C at 760 mmHg; (21)Vapour Pressure: 0.023 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cc(F)ccc1NC
(2) InChI: InChI=1/C7H9FN2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,9H2,1H3
(3) InChIKey: KCHBRCYJSKZXHY-UHFFFAOYAU