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38177-98-9

Basic Information
CAS No.: 38177-98-9
Name: Ethanone, 1-(4-amino-2-methylphenyl)- (9CI)
Article Data: 5
Molecular Structure:
Molecular Structure of 38177-98-9 (Ethanone, 1-(4-amino-2-methylphenyl)- (9CI))
Formula: C9H11NO
Molecular Weight: 149.192
Synonyms: Acetophenone,4'-amino-2'-methyl- (6CI);2-Methyl-4-aminoacetophenone;
Density: 1.067 g/cm3
Boiling Point: 305.8 °C at 760 mmHg
Flash Point: 138.7 °C
PSA: 43.09000
LogP: 2.36100
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Specification

The 4-Amino-2-methylacetophenone, with the CAS registry number 38177-98-9, is also known as 1-(4-Amino-2-methylphenyl)ethanone. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C9H11NO and molecular weight is 149.19. Its systematic name is called 1-(4-aminophenyl)propan-1-one.

Physical properties of 4-Amino-2-methylacetophenone: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 3.05; (6)ACD/BCF (pH 7.4): 3.06; (7)ACD/KOC (pH 5.5): 77.29; (8)ACD/KOC (pH 7.4): 77.46; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 45.14 cm3; (14)Molar Volume: 139.7 cm3; (15)Surface Tension: 43 dyne/cm; (16)Density: 1.067 g/cm3; (17)Flash Point: 138.7 °C; (18)Enthalpy of Vaporization: 54.62 kJ/mol; (19)Boiling Point: 305.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000805 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(N)cc1)CC
(2)InChI: InChI=1/C9H11NO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
(3)InChIKey: FSWXOANXOQPCFF-UHFFFAOYAU