| Identification | |
| Name: | Benzenepropanoic acid, b-amino-3-nitro-, (bS)- |
| Synonyms: | (S)-BETA-(3-NITROPHENYL)ALANINE;(S)-3-AMINO-3-(3-NITRO-PHENYL)-PROPIONIC ACID;(S)-3-AMINO-3-(3-NITROPHENYL)PROPANOIC ACID;RARECHEM LF HC P253;H-D-PHG(3-NO2)-(C*CH2)OH;H-BETA-PHE(3-NO2)-OH;(S)-3-(3-NITROPHENYL)-BETA-ALANINE ;H-b-Phe(3-NO2)-OH |
| CAS: | 734529-57-8 |
| Molecular Formula: | C9H10 N2 O4 |
| Molecular Weight: | 210.19 |
| InChI: | InChI=1/C9H10N2O4/c10-8(5-9(12)13)6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1 |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 186.4°C |
| Boiling Point: | 384.5°C at 760 mmHg |
| Density: | 1.404g/cm3 |
| Refractive index: | 1.612 |
| Specification: |
The (S)-3-Amino-3-(3-nitrophenyl)propionic acid with the cas number 734529-57-8 is also called (S)-3-(3-nitrophenyl)-beta-alanine. Both the systematic name and IUPAC name are (3S)-3-amino-3-(3-nitrophenyl)propanoic acid. Its molecular formula is C9H10N2O4. This chemical belongs to the following product categories: (1)3-Amino-3-phenylpropanoic Acid Analogs; (2)API intermediates; (3)B-Amino. The properties of the chemical are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 75.36 Å2; (7)Index of Refraction: 1.612; (8)Molar Refractivity: 52.08 cm3; (9)Molar Volume: 149.6 cm3; (10)Polarizability: 20.64×10-24cm3; (11)Surface Tension: 67.3 dyne/cm; (12)Enthalpy of Vaporization: 66.79 kJ/mol; (13)Vapour Pressure: 1.34×10-6 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Flash Point: | 186.4°C |
| Safety Data | |
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