N-BOC-2-シクロヘキシル-DL-グリシン

2-(((Tert-butoxy)carbonyl)amino)-2-cyclohexylacetic acid

HCID 3559319

ノート反応

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基本情報

CAS: 35264-05-2
標準SMILES: CC(C)(C)OC(=O)NC(C(=O)O)C1CCCCC1
InChIKey: QSUXZIPXYDQFCX-UHFFFAOYSA-N
分子式: C13H23NO4
平均分子量: 257.33 g/mol
単同位体質量: 257.16270822

名称と識別子

優先名称: 2-(((Tert-butoxy)carbonyl)amino)-2-cyclohexylacetic acid
IUPAC: 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
現地名: N-BOC-2-シクロヘキシル-DL-グリシン
英語名: Tert-butoxycarbonylamino-cyclohexyl-acetic acid
分子式: C13H23NO4
分子量: 257.33

名称と別名

2-{[(tert-butoxy)carbonyl]amino}-2-cyclohexylacetic acid2-(((Tert-butoxy)carbonyl)amino)-2-cyclohexylacetic acidRefChem:447064674-646-235264-05-2N-Boc-2-Cyclohexyl-DL-glycine2-((tert-Butoxycarbonyl)amino)-2-cyclohexylacetic acidtert-Butoxycarbonylamino-cyclohexyl-acetic acidBoc-L-cyclohexylglycineN-Boc-2-Cyclohexylglycine2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic AcidMFCD04115511

名称をさらに表示

N-BOC-2-シクロヘキシル-DL-グリシンBOC-DL-CHG-OHBoc-2-CyclohexylglycineN-Boc-RS-CyclohexylglycineN-Boc-DL-cyclohexylglycineBoc-2-Cyclohexyl-D-Glycine2-(Boc-amino)-2-cyclohexylacetic AcidN-tert-Butoxycarbonyl-DL-cyclohexylglycineTert-butoxycarbonylamino-cyclohexyl-acetic acid USP/EP/BP

2-(tert-butoxycarbonylamino)-2-cyclohexylacetic acid[(tert-butoxycarbonyl)amino](cyclohexyl)acetic acidBoc-alpha-Cyclohexyl-D-glycineBoc-D-2-cyclohexylglycineBoc-L-2-cyclohexylglycineSCHEMBL8448232-((tert-Butoxycarbonyl)amino)-2-cyclohexylaceticacid2-(tert-butoxycarbonylamino)-2-cyclohexyl-acetic acid

データベース識別子

CAS: 35264-05-2
PubChem CID: 3559319
DTXSID: DTXSID60393627
EC Number: 674-646-2

物性

構造計算による物性

XLogP: 2.9
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: 5
重原子数: 18
形式電荷: 0
複雑度: 303

物理化学的性質

沸点: 407.9 · 407.9±28.0 °C(Predicted)
比重(密度): 1.111 · 1.111±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 4.01 · 4.01±0.10(Predicted)
外見: Solid
色: White to off-white

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.