1-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acid

HCID 2735647

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 71381-75-4
標準SMILES: CC(C)(C)OC(=O)N1CCCC(C(=O)O)C1
InChIKey: NXILIHONWRXHFA-UHFFFAOYSA-N
分子式: C11H19NO4
平均分子量: 229.27 g/mol
単同位体質量: 229.13140809

名称と識別子

優先名称: 1-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acid
IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
英語名: 1-Boc-piperidine-3-carboxylic acid
分子式: C11H19NO4
分子量: 229.27

名称と別名

84358-12-31-[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid1-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acidRefChem:419120629-172-01-Boc-piperidine-3-carboxylic acid1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid71381-75-41-Boc-3-piperidinecarboxylic Acidn-boc-nipecotic acidBoc-DL-Nip-OH1-(tert-Butoxycarbonyl)-3-piperidinecarboxylic acid

名称をさらに表示

BOC-NIPBOC-NIP-OHBOC-DL-NIPC-OHBOC-(R,S)-NIP-OHBOC-DL-PIC(3)-OHRARECHEM EM WB 0154BOC-DL-NIPECOTIC ACIDBOC-3-CARBOXYPIPERIDINEN-BOC-DL-NIPECOTIC ACID

1-Boc-nipecotic Acidn-boc-3-piperidinecarboxylic acid1-tert-Butoxycarbonylpiperidine-3-carboxylic acidMFCD00673775n-boc-piperidine-3-carboxylic acid1-(tert-Butoxycarbonyl)nipecotic Acid1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acidSCHEMBL40057

データベース識別子

CAS: 71381-75-4、84358-12-3
PubChem CID: 2735647
DTXSID: DTXSID60991708
EC Number: 629-172-0
Nikkaji: J1.891.904D

物性

構造計算による物性

XLogP: 1.1
極性表面積: 66.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 282

物理化学的性質

融点: 159 · 159-162 °C(lit.)
CAS データベース: 71381 · 71381-75-4(CAS DataBase Reference)

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)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.