Tert-butyl 4-(2-iodoethyl)piperidine-1-carboxylate

HCID 9974426

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基本情報

CAS: 89151-46-2
標準SMILES: CC(C)(C)OC(=O)N1CCC(CCI)CC1
InChIKey: IONMNRHLZXJDJX-UHFFFAOYSA-N
分子式: C12H22INO2
平均分子量: 339.21 g/mol
単同位体質量: 339.06953

名称と識別子

優先名称: Tert-butyl 4-(2-iodoethyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(2-iodoethyl)piperidine-1-carboxylate
英語名: 1-Boc-4-(2-iodoethyl)piperidine
分子式: C12H22INO2
分子量: 339.21

名称と別名

89151-46-2Tert-butyl 4-(2-iodoethyl)piperidine-1-carboxylateDTXSID10433567RefChem:383475DTXCID80384395974-653-31-BOC-4-(2-IODOETHYL)PIPERIDINEMFCD171712501-Piperidinecarboxylic acid, 4-(2-iodoethyl)-, 1,1-dimethylethyl estert-butyl 4-(2-iodoethyl)-1-piperidinecarboxylateSCHEMBL310276Boc-4-(2-iodoethyl) piperidine

名称をさらに表示

1-Boc-4-(2-Iodoethyl)Piperidine(WX630127)tert-butyl 4-(2-iodoethyl)-1-piperidinecarboxylate4-(2-Iodo-ethyl)-piperidine-1-carboxylic acid tert-butyl ester

IONMNRHLZXJDJX-UHFFFAOYSA-NPDA151462-(N-BOC-4-piperidinyl)ethyl iodideAKOS027255506SB154622-(N-Boc-Piperidin-4-yl)ethyl iodideAS-72682SY335156

データベース識別子

CAS: 89151-46-2
PubChem CID: 9974426
DTXSID: DTXSID10433567
EC Number: 974-653-3
Nikkaji: J1.832.914J

物性

構造計算による物性

XLogP: 3.7
極性表面積: 29.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 230

物理化学的性質

沸点: 351.9 · 351.9±15.0 °C(Predicted)
比重(密度): 1.406 · 1.406±0.06 g/cm3(Predicted)
貯蔵温度: Store at Room Tem.
酸解離定数(Pka): -1.48 · -1.48±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.