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1199-69-5

Basic Information
CAS No.: 1199-69-5
Name: 4-(2-AMINO-ETHYL)-BENZOIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 1199-69-5 (4-(2-AMINO-ETHYL)-BENZOIC ACID)
Formula: C9H11NO2
Molecular Weight: 165.192
Synonyms: Benzoicacid, p-(2-aminoethyl)- (7CI,8CI);4-(2-Aminoethyl)benzoic acid;4-(2-aminoethyl)benzoic acid;benzoic acid, 4-(2-aminoethyl)-;
Density: 1.193 g/cm3
Melting Point: >350 °C(lit.)
Boiling Point: 330.9 °C at 760 mmHg
Flash Point: 153.9 °C
Appearance: white crystal powder
PSA: 63.32000
LogP: 1.58630
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Specification

The Benzoic acid,4-(2-aminoethyl)-, with the CAS registry number 1199-69-5, has the systematic name of 4-(2-aminoethyl)benzoic acid. It belongs to the product category of Pharmacetical, and exhibits great stability under normal temperature and pressure conditions. The molecular formula of this chemical is C9H11NO2.

The physical properties of Benzoic acid,4-(2-aminoethyl)- are as followings: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -1.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 46.26 cm3; (15)Molar Volume: 138.4 cm3; (16)Polarizability: 18.34c×10-24cm3; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.193 g/cm3; (19)Flash Point: 153.9 °C; (20)Enthalpy of Vaporization: 60.54 kJ/mol; (21)Boiling Point: 330.9 °C at 760 mmHg; (22)Vapour Pressure: 6.44E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)CCN
(2)InChI: InChI=1/C9H11NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6,10H2,(H,11,12)
(3)InChIKey: MRBFWTDIRYEDBQ-UHFFFAOYAH