2-[(1-Adamantylcarbonyl)Amino]-4-(Methylthio)Butanoic Acid
[CAS# 21394-53-6]

Identification

• Name: 2-[(1-Adamantylcarbonyl)Amino]-4-(Methylthio)Butanoic Acid
• Synonyms: (2S)-2-(Adamantane-1-Carbonylamino)-4-Methylsulfanyl-Butanoate; (2S)-2-[(1-Adamantyl-Oxomethyl)Amino]-4-(Methylthio)Butanoate; (2S)-2-(Adamantane-1-Carbonylamino)-4-(Methylthio)Butyrate
• Molecular Formula: C₁₆H₂₄NO₃S
• Molecular Weight: 310.43
• CAS Registry Number: 21394-53-6
• SMILES: [C@H](NC(=O)C12CC3CC(C1)CC(C2)C3)(CCSC)C([O-])=O
• InChI: 1S/C16H25NO3S/c1-21-3-2-13(14(18)19)17-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,2-9H2,1H3,(H,17,20)(H,18,19)/p-1/t10?,11?,12?,13-,16?/m0/s1
• InChIKey: DLCLYUTWBTWFSL-PCPABOIYSA-M

Properties

• Boiling point: 554.521°C at 760 mmHg (Cal.)
• Flash point: 289.164°C (Cal.)