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99075-24-8

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Basic Information
CAS No.: 99075-24-8
Name: [4-(2-AMINO-ETHYL)-PHENYL]-ACETIC ACID
Molecular Structure:
Molecular Structure of 99075-24-8 ([4-(2-AMINO-ETHYL)-PHENYL]-ACETIC ACID)
Formula: C10H13NO2
Molecular Weight: 179.22
Synonyms: [4-(2-Aminoethyl)phenyl]acetic acid;
Density: 1.169 g/cm3
Boiling Point: 345.848 °C at 760 mmHg
Flash Point: 162.963 °C
PSA: 63.32000
LogP: 1.51520
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Specification

The [4-(2-Aminoethyl)phenyl]acetic acid has the CAS registry number 99075-24-8. This chemical's molecular formula is C10H13NO2 and molecular weight is 179.22. What's more, its systematic name is [4-(2-Aminoethyl)phenyl]acetic acid and it belongs to the product categories of Blocks; Pyridines.

Physical properties of [4-(2-Aminoethyl)phenyl]acetic acid are: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.572; (12)Molar Refractivity: 50.451 cm3; (13)Molar Volume: 153.371 cm3; (14)Polarizability: 20×10-24 cm3; (15)Surface Tension: 51.718 dyne/cm; (16)Density: 1.169 g/cm3; (17)Flash Point: 162.963 °C; (18)Enthalpy of Vaporization: 62.261 kJ/mol; (19)Boiling Point: 345.848 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: NCCc1ccc(cc1)CC(O)=O
(2)InChI: InChI=1/C10H13NO2/c11-6-5-8-1-3-9(4-2-8)7-10(12)13/h1-4H,5-7,11H2,(H,12,13)
(3)InChIKey: YNRWSYQPUZZUGC-UHFFFAOYSA-N