(S)-2-アミノメチル-1-N-BOC-ピペリジン

tert-Butyl (2S)-2-(aminomethyl)piperidine-1-carboxylate

HCID 1502020CAS 475105-35-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)OC(=O)N1CCCC[C@H]1CN
InChIKey: PTVRCUVHYMGECC-VIFPVBQESA-N
分子式: C11H22N2O2
平均分子量: 214.3 g/mol
単同位体質量: 214.16812794

名称と識別子

優先名称: tert-Butyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
IUPAC: tert-butyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
現地名: (S)-2-アミノメチル-1-N-BOC-ピペリジン
英語名: (S)-2-Aminomethyl-1-N-Boc-piperidine
分子式: C11H22N2O2
分子量: 214.3

名称と別名

475105-35-2tert-butyl (2S)-2-(aminomethyl)piperidine-1-carboxylateDTXSID20363583RefChem:382968DTXCID60314630676-058-1(s)-2-(aminomethyl)-1-n-boc-piperidine(S)-2-Aminomethyl-1-N-Boc-piperidineMFCD06799358(S)-2-(Aminomethyl)-1-Boc-piperidine(s)-tert-butyl 2-(aminomethyl)piperidine-1-carboxylate(s)-2-aminomethyl-piperidine-1-carboxylic acid tert-butyl ester

名称をさらに表示

(S)-2-アミノメチル-1-N-BOC-ピペリジン(S)-1-Boc-2-(aMinoMethyl)piperidine(S)-1-N-Boc-2-(aminomethyl)piperidineS-2-(AMINOMETHYL)-1-N-BOC-PIPERIDINE-HCl1H-1,4-Diazepine,hexahydro-2-(phenylmethyl)-REF DUPL: (S)-2-Aminomethyl-1-N-Boc-piperidine(2S)-2-(Aminomethyl)piperidine,N1-BOCprotected(S)-2-(Aminomethyl)-1-N-Boc-piperidine - [A91684]

(S)-tert-Butyl 2-(aminomethyl)-piperidine-1-carboxylateSCHEMBL344947tert-butyl (S)-2-(aminomethyl)piperidine-1-carboxylatePTVRCUVHYMGECC-VIFPVBQESA-NAUA10535CS-D1798(S)-2-aminomethyl-N-Boc-piperidineAKOS005258697

データベース識別子

CAS: 475105-35-2
PubChem CID: 1502020
DTXSID: DTXSID20363583
EC Number: 676-058-1

物性

構造計算による物性

XLogP: 1.1
極性表面積: 55.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 223

物理化学的性質

沸点: 299.4 · 299.4±13.0 °C(Predicted)
比重(密度): 1.023 · 1.023
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 10.32 · 10.32±0.29(Predicted)

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