Tert-butyl 5-formyl-6-azaspiro[2.5]octane-6-carboxylate

HCID 86664865CAS 1260527-33-0

基本情報

標準SMILES: CC(C)(C)OC(=O)N1CCC2(CC2)CC1C=O
InChIKey: BABYBNKBVQWOOY-UHFFFAOYSA-N
分子式: C13H21NO3
平均分子量: 239.31 g/mol

名称と識別子

優先名称: Tert-butyl 5-formyl-6-azaspiro[2.5]octane-6-carboxylate
IUPAC: tert-butyl 7-formyl-6-azaspiro[2.5]octane-6-carboxylate

名称と別名

1260527-33-0tert-butyl 5-formyl-6-azaspiro[2.5]octane-6-carboxylate(S)-tert-Butyl 5-formyl-6-azaspiro[2.5]octane-6-carboxylate(+-) tert-butyl 5-formyl-6-azaspiro[2.5]octane-6-carboxylateSCHEMBL934646BABYBNKBVQWOOY-UHFFFAOYSA-NMAC39636AT36005SB49506DB-361790(+/-) tert-butyl 5-formyl-6-azaspiro [2.5]octane-6-carboxylate(+/-) tert-butyl 5-formyl-6-azaspiro[2.5]octane-6-carboxylate

データベース識別子

CAS: 1260527-33-0
PubChem CID: 86664865
EC Number: 183-333-5

物性

構造計算による物性

XLogP: 2.1
極性表面積: 46.6 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: 3
重原子数: 17
形式電荷: 0
複雑度: 328

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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)