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Cas Database |
| Name |
Benzoic acid,4-(2-aminoethyl)- |
EINECS | N/A |
| CAS No. | 1199-69-5 | Density | 1.193 g/cm3 |
| PSA | 63.32000 | LogP | 1.58630 |
| Solubility | N/A | 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 | N/A | Appearance | white crystal powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzoicacid, p-(2-aminoethyl)- (7CI,8CI);4-(2-Aminoethyl)benzoic acid;4-(2-aminoethyl)benzoic acid;benzoic acid, 4-(2-aminoethyl)-; |
Article Data | 3 |
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
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