Tert-butyl 4-ethynyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

HCID 18366143

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1087043-97-7
標準SMILES: C#CC1COC(C)(C)N1C(=O)OC(C)(C)C
InChIKey: DPZQSYOKTUMHNY-UHFFFAOYSA-N
分子式: C12H19NO3
平均分子量: 225.28 g/mol

名称と識別子

優先名称: Tert-butyl 4-ethynyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
IUPAC: tert-butyl 4-ethynyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

名称と別名

1087043-97-7tert-butyl 4-ethynyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylateRefChem:894016964-858-6tert-Butyl 4-ethynyl-2,2-dimethyloxazolidine-3-carboxylateMFCD16620634(S)-tert-Butyl 4-ethynyl-2,2-dimethyloxazolidine-3-carboxylate(R)-2,2-Dimethyl-3-(N-Boc)-4-ethynyl-oxazolidineSCHEMBL1833726MTB04397AKOS026716718SB45427

名称をさらに表示

3-Boc-4-ethynyl-2,2-dimethyloxazolidineAS-48419SY244452DB-064441DB-064896DB-371984F30854EN300-7419796

データベース識別子

CAS: 1087043-97-7
PubChem CID: 18366143
EC Number: 964-858-6
Nikkaji: J2.899.628D

物性

構造計算による物性

XLogP: 1.6
極性表面積: 38.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 16
形式電荷: 0
複雑度: 332

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.