550582

N-Boc-3-(3-methyl-4-nitrobenzyl)-L-histidine methyl ester

• Empirical Formula (Hill Notation): C₂₀H₂₆N₄O₆
• CAS Number: 114787-83-6
• Molecular Weight: 418.44
• MDL number: MFCD03427113
• UNSPSC Code: 12352209
• PubChem Substance ID: 24879127
• NACRES: NA.22

Properties

• reaction suitability: reaction type: Boc solid-phase peptide synthesis
• impurities: ≤3 wt. % tert-butyl methyl ether
• mp: 92-104 °C (lit.)
• application(s): peptide synthesis
• storage temp.: 2-8°C
• SMILES string: COC(=O)[C@H](Cc1cn(Cc2ccc(c(C)c2)[N+]([O-])=O)cn1)NC(=O)OC(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
• InChI key: QICAMETZWUJWGH-INIZCTEOSA-N

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): 230.0 °F - closed cup
• Flash Point(C): 110 °C - closed cup