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7409-09-8

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Basic Information
CAS No.: 7409-09-8
Name: 4-(ETHYLAMINO)BENZOIC ACID
Article Data: 6
Molecular Structure:
Molecular Structure of 7409-09-8 (4-(ETHYLAMINO)BENZOIC ACID)
Formula: C9H11NO2
Molecular Weight: 165.192
Synonyms: Benzoicacid, p-(ethylamino)- (7CI,8CI);4-(Ethylamino)benzoic acid;
Density: 1.197 g/cm3
Melting Point: 175 °C
Boiling Point: 330.9 °C at 760 mmHg
Flash Point: 153.9 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 49.33000
LogP: 1.88960
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Specification

The Benzoic acid, 4-(ethylamino)-, with the CAS registry number of 7409-09-8, is also known as Ethyl-para-aminobenzoic acid. This chemical's molecular formula is C9H11NO2 and molecular weight is 165.19. What's more, its systematic name is 4-(Ethylamino)benzoic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzoic acid, 4-(ethylamino)- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): -0.18; (5)ACD/BCF (pH 5.5): 5.7; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 75.9; (8)ACD/KOC (pH 7.4): 1.49; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 47.42 cm3; (15)Molar Volume: 137.9 cm3; (16)Surface Tension: 50.7 dyne/cm; (17)Density: 1.197 g/cm3; (18)Flash Point: 153.9 °C; (19)Enthalpy of Vaporization: 60.54 kJ/mol; (20)Boiling Point: 330.9 °C at 760 mmHg; (21)Vapour Pressure: 6.47E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccc(NCC)cc1
(2) InChI: InChI=1/C9H11NO2/c1-2-10-8-5-3-7(4-6-8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)
(3) InChIKey: SWXFMMWYVSYQGF-UHFFFAOYAN