2,8-Dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one

HCID 10176401

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 123319-03-9
標準SMILES: CC1OC2(CCN(C)CC2)CC1=O
InChIKey: OODDNJQTVFMGCF-UHFFFAOYSA-N
分子式: C10H17NO2
平均分子量: 183.25 g/mol

名称と識別子

優先名称: 2,8-Dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one
IUPAC: 2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one
英語名: OODDNJQTVFMGCF-UHFFFAOYSA-N
分子式: C10H17NO2
分子量: 183.24748

名称と別名

2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one123319-03-92,8-dimethyl-1-oxa-8-azaspiro(4.5)decan-3-oneRefChem:446501989-545-1CHEMBL40121ARL 144952,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-oneSCHEMBL1326512OODDNJQTVFMGCF-UHFFFAOYSA-NYEA31903ARL 14995

名称をさらに表示

BDBM50034651EBC-08098FPL-14995AKOS033633463EN300-2572762,8-dimethyl-1-oxa-8-azaspiro[4,5]decan-3-oneL0102002,8-dimethyl-1-oxa-8-azaspiro[4,5]-decan-3-one

データベース識別子

CAS: 123319-03-9
PubChem CID: 10176401
ChEMBL: CHEMBL40121
EC Number: 989-545-1
Nikkaji: J663.380C

物性

構造計算による物性

XLogP: 0.4
極性表面積: 29.5 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: 0
重原子数: 13
形式電荷: 0
複雑度: 219

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.