N-Acetyl-DL-phenylalanine compd. with tricyclo(3.3.1.1(3,7))decan-1-amine (1:1)
[CAS# 79380-99-7]

Identification

• Name: N-Acetyl-DL-phenylalanine compd. with tricyclo(3.3.1.1(3,7))decan-1-amine (1:1)
• Synonyms: (2S)-2-Acetamido-3-Phenyl-Propanoic Acid; Adamantan-1-Amine; (2S)-2-Acetamido-3-Phenylpropanoic Acid; 1-Adamantanamine; (2S)-2-Acetamido-3-Phenyl-Propionic Acid; 1-Adamantylamine
• Molecular Formula: C₂₁H₃₀N₂O₃
• Molecular Weight: 358.48
• CAS Registry Number: 79380-99-7
• SMILES: [C@H](NC(=O)C)(CC1=CC=CC=C1)C(=O)O.NC23CC4CC(C2)CC(C3)C4
• InChI: 1S/C11H13NO3.C10H17N/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9;11-10-4-7-1-8(5-10)3-9(2-7)6-10/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15);7-9H,1-6,11H2/t10-;/m0./s1
• InChIKey: NVJQQPSVBSYLGM-PPHPATTJSA-N

Properties

• Boiling point: 453.9°C at 760 mmHg (Cal.)
• Flash point: 228.3°C (Cal.)