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

HCID 2734288CAS 125995-13-3

기본 정보

표준 SMILES: CC(C)(C)OC(=O)C[C@H]1C[C@@H](CCN)OC(C)(C)O1
InChIKey: HWSHVKNLMBMKSR-GHMZBOCLSA-N
분자식: C14H27NO4
평균 분자량: 273.37 g/mol

이름 및 식별자

우선 이름: (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

이름 및 동의어

(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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 70.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 19
형식 전하: 0
복잡도: 309

안전 및 규제

GHS 분류

GHS Classification · 5건

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.