[(3S)-3-Amino-4-Oxo-4-Phenylmethoxybutyl]Imino-Methyl-Oxidoazanium, 2,2,2-Trifluoroacetic Acid
[CAS# 161337-88-8]

Identification

• Name: [(3S)-3-Amino-4-Oxo-4-Phenylmethoxybutyl]Imino-Methyl-Oxidoazanium, 2,2,2-Trifluoroacetic Acid
• Synonyms: [(3S)-3-Amino-4-Benzyloxy-4-Oxo-Butyl]Imino-Methyl-Oxido-Ammonium; 2,2,2-Trifluoroacetic Acid; [(3S)-3-Amino-4-Benzyloxy-4-Oxobutyl]Imino-Methyl-Oxidoammonium; 2,2,2-Trifluoroacetic Acid; [(3S)-3-Amino-4-Benzoxy-4-Keto-Butyl]Imino-Methyl-Oxido-Ammonium; 2,2,2-Trifluoroacetic Acid
• Molecular Formula: C₁₄H₁₈F₃N₃O₅
• Molecular Weight: 365.31
• CAS Registry Number: 161337-88-8
• SMILES: [C@@H](C(=O)OCC1=CC=CC=C1)(CC[N-][N+](=O)C)N.O=C(C(F)(F)F)O
• InChI: 1S/C12H17N3O3.C2HF3O2/c1-15(17)14-8-7-11(13)12(16)18-9-10-5-3-2-4-6-10;3-2(4,5)1(6)7/h2-6,11H,7-9,13H2,1H3;(H,6,7)/t11-;/m0./s1
• InChIKey: UVKUAEHIYUJNRZ-MERQFXBCSA-N

Properties

• Boiling point: 388.4°C at 760 mmHg (Cal.)
• Flash point: 188.7°C (Cal.)