CAS 479080-30-3 tert-butyl 2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate (HCID 57368934)

基本情報

CAS: 479080-30-3
標準SMILES: CC(C)(C)OC(=O)N1CCCCC1C(N)=NO
InChIKey: XZCPIKZHYXKFQO-UHFFFAOYSA-N
分子式: C11H21N3O3
平均分子量: 243.3 g/mol
単同位体質量: 243.15829154

名称と識別子

優先名称: tert-butyl 2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate
IUPAC: tert-butyl 2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate

名称と別名

479080-30-3tert-butyl 2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylateRefChem:892444976-842-6MFCD10568291tert-butyl 2-(n-hydroxycarbamimidoyl)piperidine-1-carboxylate2-(N-hydroxycarbamimidoyl)-piperidine-1-carboxylic acid tert-butyl esterSCHEMBL4778135SCHEMBL5307697XZCPIKZHYXKFQO-UHFFFAOYSA-NAKOS0302337471-Boc-2-(N-Hydroxycarbamimidoyl)piperidine

名称をさらに表示

DB-337786tert-butyl 2-[(E)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylatetert-butyl (2RS)-2-[amino(hydroxyimino)methyl]-1-piperidinecarboxylatetert-Butyl 2-[(Z)-amino(hydroxyimino)methyl]piperidine-1-carboxylate

データベース識別子

CAS: 479080-30-3
PubChem CID: 57368934
EC Number: 976-842-6

物性

構造計算による物性

XLogP: 1.2
極性表面積: 88.2 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: 3
重原子数: 17
形式電荷: 0
複雑度: 310

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.