(4R,6R)-tert-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

HCID 2734288

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 125995-13-3
標準SMILES: CC(C)(C)OC(=O)C[C@H]1C[C@@H](CCN)OC(C)(C)O1
InChIKey: HWSHVKNLMBMKSR-GHMZBOCLSA-N
分子式: C14H27NO4
平均分子量: 273.37 g/mol

名称と識別子

優先名称: (4R,6R)-tert-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
IUPAC: tert-butyl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

名称と別名

(4R,6R)-tert-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate1,1-Dimethylethyl (4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetateRefChem:403345603-112-3125995-13-3Tert-butyl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetateMFCD07369252(4R,CIS)-1,1-DIMETHYLETHYL-6-AMINOETHYL-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATEtert-Butyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate(4R,6R)-t-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate1,3-Dioxane-4-acetic acid, 6-(2-aminoethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-(4r-cis)-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

名称をさらに表示

Atorvastatin Impurity 83R3QE8JH2KSSCHEMBL916725Atorvastatin Impurity cent centTERT-BUTYL(4R,6R)-2-[6-(2-AMINOETHYL)-2,2-DIMETHYL-1,3-DIOXAN-4-YL]ACETATEAKOS015894231CS-W003388DS-10700

データベース識別子

CAS: 125995-13-3
PubChem CID: 2734288
UNII: R3QE8JH2KS
EC Number: 603-112-3
Nikkaji: J1.931.477D

物性

構造計算による物性補完中

XLogP: 1.1
極性表面積: 70.8 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 6
重原子数: 19
形式電荷: 0
複雑度: 309

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.