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Cas Database |
| Name |
N-[(4-Methylphenyl)sulfonyl]phenylalanine |
EINECS | 1533716-785-6 |
| CAS No. | 13505-32-3 | Density | 1.303g/cm3 |
| PSA | 91.85000 | LogP | 3.44090 |
| Solubility | N/A | Melting Point |
165 °C |
| Formula | C16H17NO4S | Boiling Point | 517.7°Cat760mmHg |
| Molecular Weight | 319.381 | Flash Point | 266.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 24/25 | Risk Codes | R36/37/38 |
| Molecular Structure |
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Hazard Symbols |
 Xi
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| Synonyms |
Alanine,3-phenyl-N-(p-tolylsulfonyl)-, L- (8CI);(2S)-2-[[(4-Methylphenyl)sulfonyl]amino]-3-phenylpropanoic acid;(S)-N-Tosylphenylalanine;N-(p-Toluenesulfonyl)-L-phenylalanine;N-(p-Toluenesulfonyl)phenylalanine;N-Tosyl-(S)-phenylalanine;N-Tosyl-L-phenylalanine;N-Tosylphenylalanine;NSC 211907; |
Article Data | 55 |
N-[(4-Methylphenyl)sulfonyl]phenylalanine Specification
The N-[(4-Methylphenyl)sulfonyl]phenylalanine with cas registry number of 13505-32-3, it belongs to the following product categories:(1)Amino Acid Derivatives; (2)Amino Acids. Its IUPAC name is (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid. It should store at RT.
Physical properties about this chemical are: (1)XLogP3-AA: 2.8; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 5; (4)Rotatable Bond Count: 6; (5)Exact Mass: 319.087829; (6)MonoIsotopic Mass: 319.087829; (7)Topological Polar Surface Area: 91.8; (8)Heavy Atom Count: 22; (9)Formal Charge: 0; (10)Complexity: 457; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 1; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure: (1)InChI: InChI=1/C16H17NO4S/c1-12-7-9-14(10-8-12)22(20,21)17-15(16(18)19)11-13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3,(H,18,19)/t15-/m0/s1;
(2)SMILES: S(N[C@H](C(O)=O)Cc1ccccc1)(c1ccc(C)cc1)(=O)=O.
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