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| CAS No.: | 28357-95-1 |
|---|---|
| Name: | 4-(1-AMINO-ETHYL)-BENZOIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C9H11NO2 |
| Molecular Weight: | 165.192 |
| Synonyms: | 4-(1-AMINO-ETHYL)-BENZOIC ACID;Benzoic acid, 4-(1-aminoethyl)- |
| Density: | 1.186 g/cm3 |
| Melting Point: | >300 °C |
| Boiling Point: | 317 °C at 760 mmHg |
| Flash Point: | 145.5 °C |
| PSA: | 63.32000 |
| LogP: | 2.10480 |
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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