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| CAS No.: | 122852-33-9 |
|---|---|
| Name: | 4-Bromo-D-phenylalanine hydrochloride |
| Molecular Structure: | |
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| Formula: | C9H10BrNO2.HCl |
| Molecular Weight: | 280.549 |
| Synonyms: | (R)-4-Bromophenylalanine Hydrochloride Salt;4-Bromo-D-phenylalanine hydrochloride;D-Phenylalanine,4-bromo-,hydrochloride (9CI); |
| Boiling Point: | 394.9 °C at 760 mmHg |
| Flash Point: | 192.6 °C |
| PSA: | 63.32000 |
| LogP: | 2.90580 |
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Specification
The 4-Bromo-D-phenylalanine hydrochloride is an organic compound with the formula C9H10BrNO2.HCl. The systematic name of this chemical is (2S)-2-amino-3-(4-bromophenyl)propanoic acid hydrochloride and the CAS registry number is 122852-33-9. In addition, the molecular weight is 280.55.
The other characteristics of 4-Bromo-D-phenylalanine hydrochloride can be summarized as: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 63.32 Å2; (7)Flash Point: 192.6 °C; (8)Enthalpy of Vaporization: 68.02 kJ/mol; (9)Boiling Point: 394.9 °C at 760 mmHg; (10)Vapour Pressure: 6.06E-07 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:Brc1ccc(C[C@H](N)C(O)=O)cc1.Cl
2. InChI:InChI=1/C9H10BrNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m0./s1
3. InChIKey:GRWMPXZZFAPLFZ-QRPNPIFTBO
4. Std. InChI:InChI=1S/C9H10BrNO2.ClH/c10-7-3-1-6(2-4-7)5-8(11)9(12)13;/h1-4,8H,5,11H2,(H,12,13);1H/t8-;/m0./s1
5. Std. InChIKey:GRWMPXZZFAPLFZ-QRPNPIFTSA-N