N-[(1S)-1-[[(1S)-2-Keto-1-methyl-ethyl]carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester
[CAS# 18904-53-5]

Identification

• Name: N-[(1S)-1-[[(1S)-2-Keto-1-methyl-ethyl]carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester
• Synonyms: Phenylmethyl N-[(1S)-2-Methyl-1-[[(1S)-1-Methyl-2-Oxo-Ethyl]Carbamoyl]Propyl]Carbamate; N-[(1S)-2-Methyl-1-[[[(1S)-1-Methyl-2-Oxoethyl]Amino]-Oxomethyl]Propyl]Carbamic Acid Phenylmethyl Ester; N-[(1S)-1-[[(1S)-2-Keto-1-Methyl-Ethyl]Carbamoyl]-2-Methyl-Propyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₁₆H₂₂N₂O₄
• Molecular Weight: 306.36
• CAS Registry Number: 18904-53-5
• SMILES: [C@@H](NC(OCC1=CC=CC=C1)=O)(C(N[C@H](C=O)C)=O)C(C)C
• InChI: 1S/C16H22N2O4/c1-11(2)14(15(20)17-12(3)9-19)18-16(21)22-10-13-7-5-4-6-8-13/h4-9,11-12,14H,10H2,1-3H3,(H,17,20)(H,18,21)/t12-,14-/m0/s1
• InChIKey: FHTHQGKVFWSOJV-JSGCOSHPSA-N

Properties

• Density: 1.131g/cm³ (Cal.)
• Boiling point: 513.503°C at 760 mmHg (Cal.)
• Flash point: 264.357°C (Cal.)