2,2-Dimethoxy-1-methylpyrrolidine

HCID 11073552CAS 39650-82-3

基本情報

標準SMILES: COC1(OC)CCCN1C
InChIKey: IWVFFVBJTCPIIG-UHFFFAOYSA-N
分子式: C7H15NO2
平均分子量: 145.2 g/mol
単同位体質量: 145.11027872

名称と識別子

優先名称: 2,2-Dimethoxy-1-methylpyrrolidine
IUPAC: 2,2-dimethoxy-1-methylpyrrolidine
英語名: 2,2-diMethoxy-1-Methyl-Pyrrolidine
分子式: C7H15NO2
分子量: 145.2

名称と別名

2,2-dimethoxy-1-methylpyrrolidineRefChem:441195832-957-239650-82-3Pyrrolidine, 2,2-dimethoxy-1-methyl-N-methyl-2-pyrrolidone dimethyl acetalSCHEMBL5915754DTXSID30454158IWVFFVBJTCPIIG-UHFFFAOYSA-NPBA65082EN300-1189862,2-diMethoxy-1-Methyl-Pyrrolidine

データベース識別子

CAS: 39650-82-3
PubChem CID: 11073552
DTXSID: DTXSID30454158
EC Number: 832-957-2

物性

構造計算による物性

XLogP: 0.5
極性表面積: 21.7 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: 10
形式電荷: 0
複雑度: 112

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.