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Cas Database |
| Name |
L-Phenylalanine,N-[(4-aminophenyl)sulfonyl]- |
EINECS | N/A |
| CAS No. | 133978-59-3 | Density | N/A |
| PSA | 117.87000 | LogP | 3.29590 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H15N2O4S | Boiling Point | 569 °C at 760 mmHg |
| Molecular Weight | 320.369 | Flash Point | 297.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 Xi:; |
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| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
2-(4-AMINO-BENZENESULFONYLAMINO)-3-PHENYL-PROPIONIC ACID;2-(4-AMinophenylsulfonaMido)-3-phenylpropanoic acid |
Article Data | 1 |
L-Phenylalanine,N-[(4-aminophenyl)sulfonyl]- Specification
The L-Phenylalanine,N-[(4-aminophenyl)sulfonyl]- has CAS registry number of 133978-59-3. Its molecular formula is C15H15N2O4S and molecular weight is 319.355600. What's more, its IUPAC name is (2S)-2-[(4-Aminophenyl)sulfonylamino]-3-phenylpropanoate.
Physical properties about the L-Phenylalanine,N-[(4-aminophenyl)sulfonyl]- are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 86.3 Å2; (7)Flash Point: 297.9 °C; (8)Enthalpy of Vaporization: 89.82 kJ/mol; (9)Boiling Point: 569 °C at 760 mmHg; (10)Vapour Pressure: 8.75E-14 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(N)cc1)N[C@H](C([O-])=O)Cc2ccccc2
(2) InChI: InChI=1/C15H16N2O4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10,16H2,(H,18,19)/p-1/t14-/m0/s1
(3) InChIKey: InChI=1/C15H16N2O4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10,16H2,(H,18,19)/p-1/t14-/m0/s1
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