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| CAS No.: | 62561-74-4 |
|---|---|
| Name: | 4-Bromo-D-phenylalanine |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C9H10BrNO2 |
| Molecular Weight: | 244.088 |
| Synonyms: | H-D-Phe(4-Br)-OH;4-Bromo-D-Phe-OH;(R)-2-Amino-3-(4-bromophenyl)propanoicacid;D-4-Bromophenylalanine;D-p-Bromophenylalanine;p-Bromo-D-phenylalanine;D-Phenylalanine, 4-bromo-;(2R)-2-amino-3-(4-bromophenyl)propanoic acid; |
| Density: | 1.588 g/cm3 |
| Boiling Point: | 368.4 °C at 760 mmHg |
| Flash Point: | 176.6 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 63.32000 |
| LogP: | 2.10380 |
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Specification
The 4-Bromo-D-Phenylalanine, with the CAS registry number 62561-74-4, has the systematic name of 4-bromo-D-phenylalanine. It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Chiral Reagent; Phenylalanine [Phe, F]; Unusual Amino Acids; α-amino. And the molecular formula of this chemical is C9H10BrNO2.
The physical properties of 4-Bromo-D-Phenylalanine are as following: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.608; (12)Molar Refractivity: 53.18 cm3; (13)Molar Volume: 153.6 cm3; (14)Polarizability: 21.08×10-24cm3; (15)Surface Tension: 57.1 dyne/cm; (16)Density: 1.588 g/cm3; (17)Flash Point: 176.6 °C; (18)Enthalpy of Vaporization: 64.89 kJ/mol; (19)Boiling Point: 368.4 °C at 760 mmHg; (20)Vapour Pressure: 4.46E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)C[C@H](C(=O)O)N
(2)InChI: InChI=1/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
(3)InChIKey: PEMUHKUIQHFMTH-MRVPVSSYBI