Methyl 1-(3-Methyl-4-Nitrobenzyl)-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Histidinate
[CAS# 114787-83-6]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Histidine derivative
• Name: Methyl 1-(3-Methyl-4-Nitrobenzyl)-N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Histidinate
• Synonyms: N-BOC-3- -L-; N-Boc-3-(3-methyl-4-nitrobenzyl)-L-histidine methyl ester; 550582_ALDRICH
• Molecular Formula: C₂₀H₂₆N₄O₆
• Molecular Weight: 418.44
• CAS Registry Number: 114787-83-6
• SMILES: [O-][N+](=O)c1c(cc(cc1)Cn2cc(nc2)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C
• InChI: 1S/C20H26N4O6/c1-13-8-14(6-7-17(13)24(27)28)10-23-11-15(21-12-23)9-16(18(25)29-5)22-19(26)30-20(2,3)4/h6-8,11-12,16H,9-10H2,1-5H3,(H,22,26)/t16-/m0/s1
• InChIKey: QICAMETZWUJWGH-INIZCTEOSA-N

Properties

• Density: 1.26g/cm³ (Cal.)
• Boiling point: 622.8°C at 760 mmHg (Cal.)
• Flash point: 330.5°C (Cal.)
• Refractive index: 1.574 (Cal.)