Diallyl L-Aspartate 4-Methylbenzenesulfonate (1:1)
[CAS# 125229-60-9]

Identification

• Name: Diallyl L-Aspartate 4-Methylbenzenesulfonate (1:1)
• Synonyms: (S)-2-Amino-succinic acid diallyl ester toluene-4-sulfonic acid salt; L-Aspartic acid bis-allyl ester p-toluenesulfonate salt
• Molecular Formula: C₁₇H₂₃NO₇S
• Molecular Weight: 385.43
• CAS Registry Number: 125229-60-9
• SMILES: O=S(=O)(O)c1ccc(cc1)C.O=C(OC\C=C)C[C@H](N)C(=O)OC\C=C
• InChI: 1S/C10H15NO4.C7H8O3S/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,8H,1-2,5-7,11H2;2-5H,1H3,(H,8,9,10)/t8-;/m0./s1
• InChIKey: AOWMVHRLCZAUDM-QRPNPIFTSA-N

Properties

• Boiling point: 547.5°C at 760 mmHg (Cal.)
• Flash point: 284.9°C (Cal.)
• Refractive index: (Cal.)