2-((Tert-butoxycarbonyl)amino)-4-methylpentanoic acid

HCID 268473

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基本情報

CAS: 13139-15-6
標準SMILES: CC(C)CC(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: MDXGYYOJGPFFJL-UHFFFAOYSA-N
分子式: C11H21NO4
平均分子量: 231.29 g/mol

名称と識別子

優先名称: 2-((Tert-butoxycarbonyl)amino)-4-methylpentanoic acid
IUPAC: 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
英語名: Boc-DL-leucine
分子式: C11H21NO4
分子量: 231.29

名称と別名

64727-35-12-[(tert-butoxycarbonyl)amino]-4-methylpentanoic acid2-((tert-butoxycarbonyl)amino)-4-methylpentanoic acidRefChem:450141815-472-0n-boc-dl-leucineboc-dl-leucine(Tert-butoxycarbonyl)leucineBoc-L-2-aminovaleric acidMFCD000769492-{[(tert-butoxy)carbonyl]amino}-4-methylpentanoic acidBOC-[15N]LEU-OH

名称をさらに表示

CL042N-α-(t-Butoxycarbonyl)-DL-leucineN-(tert-Butoxycarbonyl)-DL-leucine(Tert-butoxycarbonyl)leucine - [B92210]Leucine, N-[(1,1-dimethylethoxy)carbonyl]-

N-tert-Butoxycarbonyl-L-leucineBoc-D-Leu-OH HO4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acidn-boc-l-leucine monohydrateN-(tert-butoxycarbonyl)leucineMFCD00038294BOC-DL-LEU-OHN-t-boc-leucine

データベース識別子

CAS: 13139-15-6、64727-35-1
PubChem CID: 268473
ChEMBL: CHEMBL1740865
EC Number: 815-472-0
Nikkaji: J1.110.583A

物性

構造計算による物性

XLogP: 2.2
極性表面積: 75.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 16
形式電荷: 0
複雑度: 255

物理化学的性質

沸点: 356 · 356.0±25.0 °C(Predicted)
比重(密度): 1.061 · 1.061±0.06 g/cm3(Predicted)
貯蔵温度: Store at room temperature
酸解離定数(Pka): 4.02 · 4.02±0.21(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.