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About This Item
經驗公式(希爾表示法):
C8H12N4O3 · HCl · xH2O
CAS號碼:
分子量::
248.67 (anhydrous basis)
Beilstein:
3743779
MDL號碼:
分類程式碼代碼:
12352209
PubChem物質ID:
NACRES:
NA.22
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品質等級
化驗
≥99.0% (calc. based on dry substance, AT)
光學活性
[α]20/D +31.5±1.0°, c = 2% in H2O (dry matter)
反應適用性
reaction type: solution phase peptide synthesis
雜質
~1 mol water
應用
peptide synthesis
SMILES 字串
O.Cl.NCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O
InChI
1S/C8H12N4O3.ClH.H2O/c9-2-7(13)12-6(8(14)15)1-5-3-10-4-11-5;;/h3-4,6H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15);1H;1H2/t6-;;/m0../s1
InChI 密鑰
VGVLXWZHJBRECR-ILKKLZGPSA-N
尋找類似的產品? 前往 產品比較指南
儲存類別代碼
11 - Combustible Solids
水污染物質分類(WGK)
WGK 3
閃點(°F)
Not applicable
閃點(°C)
Not applicable
個人防護裝備
Eyeshields, Gloves, type N95 (US)
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We have tested several computational protocols, at the nonrelativistic DFT level of theory, for the calculation of 1J(119Sn, 13C) and 2J(119Sn, 1H) spin-spin coupling constants in di- and trimethyltin(IV) derivatives with various ligands. Quite a good agreement with experimental data
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