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Key Documents

550582

Sigma-Aldrich

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

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About This Item

Empirical Formula (Hill Notation):
C20H26N4O6
CAS Number:
Molecular Weight:
418.44
MDL number:
UNSPSC Code:
12352209
PubChem Substance ID:
NACRES:
NA.22

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

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup


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