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Benzyl Alaninate 4-Methylbenzenesulfonate (1:1)
[CAS# 46229-47-4]

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Identification
Name Benzyl Alaninate 4-Methylbenzenesulfonate (1:1)
Synonyms 1-alanine benzyl ester 4-toluenesulfonate
Molecular Structure CAS#: 46229-47-4, Benzyl Alaninate 4-Methylbenzenesulfonate (1:1)
Molecular Formula C17H21NO5S
Molecular Weight 351.42
CAS Registry Number 46229-47-4
SMILES O=S(=O)(O)c1ccc(cc1)C.O=C(OCc1ccccc1)C(N)C
InChI 1S/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)
InChIKey NWOPHJSSBMABBD-UHFFFAOYSA-N
Properties
Boiling point 256.5°C at 760 mmHg (Cal.)
Flash point 119.6°C (Cal.)
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