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| CAS No.: | 82311-69-1 |
|---|---|
| Name: | 3-Bromo-L-phenylalanine |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C9H10BrNO2 |
| Molecular Weight: | 244.088 |
| Synonyms: | (2S)-2-amino-3-(3-bromophenyl)propanoic acid |
| Density: | 1.588 g/cm3 |
| Boiling Point: | 368.4 °C at 760 mmHg |
| Flash Point: | 176.6 °C |
| Solubility: | Slightly soluble in water. |
| PSA: | 63.32000 |
| LogP: | 2.10380 |
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Specification
The cas register number of 3-Bromo-L-phenylalanine is 82311-69-1. It also can be called as L-Phenylalanine,3-bromo- and the Systematic name about this chemical is 3-bromo-L-phenylalanine. It belongs to the following product categories, such as Amino Acids, Amino Acid Derivatives and so on.
Physical properties about 3-Bromo-L-phenylalanine are: (1)ACD/LogP: 1.89; (2)ACD/LogD (pH 5.5): -0.61; (3)ACD/LogD (pH 7.4): -0.62; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 53.18 cm3; (14)Molar Volume: 153.6 cm3; (15)Polarizability: 21.08x10-24cm3; (16)Surface Tension: 57.1 dyne/cm; (17)Enthalpy of Vaporization: 64.89 kJ/mol; (18)Boiling Point: 368.4 °C at 760 mmHg; (19)Vapour Pressure: 4.46E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1)C[C@@H](C(=O)O)N
(2)InChI: InChI=1/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
(3)InChIKey: GDMOHOYNMWWBAU-QMMMGPOBBW
(4)Std. InChI: InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
(5)Std. InChIKey: GDMOHOYNMWWBAU-QMMMGPOBSA-N