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4-(1-Aminoethyl)benzoic acid

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Name

4-(1-Aminoethyl)benzoic acid

EINECS N/A
CAS No. 28357-95-1 Density 1.186 g/cm3
PSA 63.32000 LogP 2.10480
Solubility N/A Melting Point >300 °C
Formula C9H11NO2 Boiling Point 317 °C at 760 mmHg
Molecular Weight 165.192 Flash Point 145.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 28357-95-1 (4-(1-AMINO-ETHYL)-BENZOIC ACID) Hazard Symbols N/A
Synonyms

4-(1-AMINO-ETHYL)-BENZOIC ACID;Benzoic acid, 4-(1-aminoethyl)-

Article Data 4

4-(1-Aminoethyl)benzoic acid Specification

The 4-(1-Aminoethyl)benzoic acid is an organic compound with the formula C9H11NO2. The systematic name of this chemical is 4-(1-aminoethyl)benzoic acid. With the CAS registry number 28357-95-1, it is also named as benzoic acid, 4-(1-aminoethyl)-.

Physical properties about 4-(1-Aminoethyl)benzoic acid are: (1)ACD/LogP: 1.11; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 63.32 Å2; (10)Index of Refraction: 1.579; (11)Molar Refractivity: 46.27 cm3; (12)Molar Volume: 139.2 cm3; (13)Polarizability: 18.34×10-24cm3; (14)Surface Tension: 51.9 dyne/cm; (15)Density: 1.186 g/cm3; (16)Flash Point: 145.5 °C; (17)Enthalpy of Vaporization: 58.96 kJ/mol; (18)Boiling Point: 317 °C at 760 mmHg; (19)Vapour Pressure: 0.000166 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(C)c1ccc(cc1)C(O)=O
(2)InChI: InChI=1/C9H11NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,10H2,1H3,(H,11,12)
(3)InChIKey: NDMBVGSUFFPAFE-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H11NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,10H2,1H3,(H,11,12)
(5)Std. InChIKey: NDMBVGSUFFPAFE-UHFFFAOYSA-N

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