AG002JPF

20845-17-4 | H-Ala-allyl ester p-tosylate

AG002JPF

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CAS Number	20845-17-4
Catalog Number	AG002JPF(AGN-PC-0QWOF9)
Chemical Name	H-Ala-allyl ester p-tosylate
IUPAC Name	4-methylbenzenesulfonic acid;prop-2-enyl (2S)-2-aminopropanoate
InChI	InChI=1S/C7H8O3S.C6H11NO2/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-4-9-6(8)5(2)7/h2-5H,1H3,(H,8,9,10);3,5H,1,4,7H2,2H3/t;5-/m.0/s1
InChI Key	PXNUQOZOYKVNEI-ZSCHJXSPSA-N
MDL Number	MFCD02259514
Molecular Formula	C13H19NO5S
Molecular Weight	301.3587
SMILES	C[C@H](N)C(OCC=C)=O.O=S(C1=CC=C(C)C=C1)(O)=O
Synonyms	(S)-Allyl 2-aminopropanoate 4-methylbenzenesulfonate, 20845-17-4, H-Ala-allyl ester p-tosylate, AK150790, SCHEMBL10347234, H-Ala-allyl ester . p-tosylate, KS-00000S9H, MFCD02259514, AKOS022190114, DS-9290, AX8287788, ST2402844, L-Alanine, 2-propenyl ester, 4-methylbenzenesulfonate (9CI), 44812-81-9,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	301.098g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	301.357g/mol
Monoisotopic Mass	301.098g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number