L-Phenylalanine,N-[(4-methylphenyl)sulfonyl]- (13505-32-3)

Identification
Name:	L-Phenylalanine,N-[(4-methylphenyl)sulfonyl]-
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;
CAS:	13505-32-3
Molecular Formula:	C₁₆H₁₇NO₄S
Molecular Weight:	319.38
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)
Molecular Structure:
Properties
Melting Point:	165 °C
Flash Point:	266.9°C
Boiling Point:	517.7°Cat760mmHg
Density:	1.303g/cm³
Refractive index:	-2.8 ° (C=4.5, Acetone)
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.
Flash Point:	266.9°C
Storage Temperature:	Store at RT.
Safety Data

L-Phenylalanine,N-[(4-methylphenyl)sulfonyl]- (13505-32-3)

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