Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Amino-3-(2-nitrophenyl)propanoic acid |
EINECS | N/A |
CAS No. | 5678-48-8 | Density | 1.404 g/cm3 |
PSA | 109.14000 | LogP | 2.29280 |
Solubility | Slightly soluble in water. | Melting Point |
218℃ |
Formula | C9H10N2O4 | Boiling Point | 423.8 °C at 760 mmHg |
Molecular Weight | 210.189 | Flash Point | 210.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Hydrocinnamicacid, b-amino-o-nitro- (7CI,8CI);3-Amino-3-(2-nitrophenyl)propionic acid; |
Article Data | 12 |
The 3-Amino-3-(2-nitrophenyl)propanoic acid with the cas number 5678-48-8 is also called Benzenepropanoic acid, beta-amino-2-nitro-. Both the systematic name and IUPAC name are 3-amino-3-(2-nitrophenyl)propanoic acid. The product category of this chemical is B-Amino. It should be stored at 0-5°C.
The properties of the chemical are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.85; (4)ACD/LogD (pH 7.4): -1.88; (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: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 75.36 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 52.08 cm3; (15)Molar Volume: 149.6 cm3; (16)Polarizability: 20.64×10-24cm3; (17)Surface Tension: 67.3 dyne/cm ; (18)Enthalpy of Vaporization: 71.5 kJ/mol; (19)Vapour Pressure: 6.13×10-8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1C(N)CC(=O)O
(2)InChI: InChI=1/C9H10N2O4/c10-7(5-9(12)13)6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)
(3)InChIKey: XXBOYULKNZTOMN-UHFFFAOYAR