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L-Aspartic Acid-15N-β-Benzyl Ester-N-t-BOC

Catalog Number ACM204523159-2
CAS 204523-15-9
Structure Structure
Synonyms N-(tert-Butoxycarbonyl)-L-aspartic acid-15N, L-Aspartic-15N acid, N-t-Boc derivative, Boc-Asp-OH-15N
Molecular Weight 234.21
Molecular Formula HO2CCH2CH(15NH-Boc)CO2H
Canonical SMILES CC(C)(C)OC(=O)[15NH][C@@H](CC(O)=O)C(O)=O
InChI 1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m0/s1/i10+1
InChI Key KAJBMCZQVSQJDE-PYWYPUIGSA-N
Melting Point 116-118 °C (lit.)
Density 1.3±0.1 g/cm3
Appearance Solid
Storage Keep container tightly closed in a dry and well-ventilated place
Exact Mass 234.086975
Isotopic Enrichment 98 atom % 15N
LogP 0.6434
Mass Shift M+1
MDL Number MFCD00209688
Optical Activity [α]20/D -7.3°, c = 2 in DMF
PSA 116.42
Quality Level 200
Refractive Index 1.494
Type Labeled Amino Acids and Derivatives
Unlabeled CAS 7536-58-5
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