Benzoic acid,4-(2-aminoethyl)- supplier

Name
4-(2-AMINO-ETHYL)-BENZOIC ACID
EINECS
CAS No. 1199-69-5
Article Data3
CAS DataBase
Density 1.193 g/cm³
Solubility
Melting Point >350 °C(lit.)
Formula C₉H₁₁NO₂
Boiling Point 330.9 °C at 760 mmHg
Molecular Weight 165.192
Flash Point 153.9 °C
Transport Information
Appearance white crystal powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, p-(2-aminoethyl)- (7CI,8CI);4-(2-Aminoethyl)benzoic acid;4-(2-aminoethyl)benzoic acid;benzoic acid, 4-(2-aminoethyl)-;
PSA 63.32000
LogP 1.58630

Benzoic acid,4-(2-aminoethyl)- 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

Product Name

4-(2-AMINO-ETHYL)-BENZOIC ACID

Benzoic acid,4-(2-aminoethyl)- Specification

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