benzyl 3-(chlorocarbonyl)tetrahydro-1(2H)-pyridinecarboxylate

HCID 2776575

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基本情報

CAS: 216502-94-2
標準SMILES: O=C(Cl)C1CCCN(C(=O)OCc2ccccc2)C1
InChIKey: WVIBCUKTQAQPKH-UHFFFAOYSA-N
分子式: C14H16ClNO3
平均分子量: 281.73 g/mol
単同位体質量: 281.08187105

名称と識別子

優先名称: benzyl 3-(chlorocarbonyl)tetrahydro-1(2H)-pyridinecarboxylate
IUPAC: benzyl 3-carbonochloridoylpiperidine-1-carboxylate
英語名: 1-Benzyloxycarbonylpiperidine-3-carbonyl chloride
分子式: C14H16ClNO3
分子量: 281.73

名称と別名

BENZYL 3-(CHLOROCARBONYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATERefChem:566620801-810-4216502-94-2BENZYL 3-(CHLOROCARBONYL)PIPERIDINE-1-CARBOXYLATE1-Benzyloxycarbonylpiperidine-3-carbonyl chlorideMFCD03407318benzyl 3-chlorocarbonylpiperidine-1-carboxylatebenzyl 3-carbonochloridoylpiperidine-1-carboxylate1-Benzyloxycarbonylpiperidine-3-carbonylchlorideSCHEMBL204953benzyl 3-(carbonochloridoyl)piperidine-1-carboxylate

名称をさらに表示

BUTTPARK 43\57-101-CBZ-PIPERIDINE-3-CARBONYL CHLORIDE3-(chlorocarbonyl)piperidine-1-carboxylate3-(Chlorocarbonyl)piperidine, N-CBZ protected3-(Chlorocarbonyl)piperidine,N-CBZprotected97%3-(Chlorocarbonyl)piperidine, N-CBZ protected 97%Benzyl3-(chlorocarbonyl)piperidine-1-carboxylate97%

1-Cbz-3-chlorocarbonylpiperidineDTXSID60380198WVIBCUKTQAQPKH-UHFFFAOYSA-N1-Cbz-3-(chlorocarbonyl)piperidineAKOS015848521FS-6245SY323452DB-005677

データベース識別子

CAS: 216502-94-2
PubChem CID: 2776575
DTXSID: DTXSID60380198
EC Number: 801-810-4

物性

構造計算による物性

XLogP: 2.6
極性表面積: 46.6 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 19
形式電荷: 0
複雑度: 329

物理化学的性質

貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, 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.