| Identification | |
| Name: | Benzenepropanoic acid, b-amino-3-nitro-, (bR)- |
| Synonyms: | (R)-3-(3-nitrophenyl)-beta-alanine;(3R)-3-Amino-3-(3-nitrophenyl)propanoic acid;(R)-?-(3-Nitrophenyl)alanine;R-3-Amino-3-(3-nitro-phenyl)-propionic acid; |
| CAS: | 787544-61-0 |
| 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-/m1/s1 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.404g/cm3 |
| Refractive index: | 1.612 |
| Specification: |
The (R)-3-Amino-3-(3-nitrophenyl)propionic acid, with the CAS registry number 787544-61-0, has the systematic name of (3R)-3-amino-3-(3-nitrophenyl)propanoic acid. It belongs to the following product categories: 3-Amino-3-phenylpropanoic Acid Analogs; API intermediates; B-Amino. And the molecular formula of the chemical is C9H10N2O4. The characteristics of this chemical are as followings: (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)Density: 1.404 g/cm3; (13)Flash Point: 186.4 °C; (14)Enthalpy of Vaporization: 66.79 kJ/mol; (15)Boiling Point: 384.5 °C at 760 mmHg; (16)Vapour Pressure: 1.34E-06 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Safety Data | |
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