CAS 132414-59-6 5-Methyl-octahydropyrrolo(3,4-b)pyrrole (HCID 16228899)

基本情報

CAS: 132414-59-6
標準SMILES: CN1CC2CCNC2C1
InChIKey: DLUDAUJQMXTXGQ-UHFFFAOYSA-N
分子式: C7H14N2
平均分子量: 126.2 g/mol
単同位体質量: 126.11569846

名称と識別子

優先名称: 5-Methyl-octahydropyrrolo(3,4-b)pyrrole
IUPAC: 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
現地名: オクタヒドロ-5-メチルピロロ[3,4-B]ピロール
英語名: 5-Methyl-1H-hexahydropyrrolo[3,4-b]pyrrole
分子式: C7H14N2
分子量: 126.2

名称と別名

5-methyl-octahydropyrrolo[3,4-b]pyrrole5-Methyl-octahydropyrrolo(3,4-b)pyrroleRefChem:537239895-194-4132414-59-65-methyloctahydropyrrolo[3,4-b]pyrrole5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrroleOctahydro-5-methylpyrrolo[3,4-b]pyrrole5-METHYL-1H-HEXAHYDROPYRROLO[3,4-B]PYRROLE5-methyl-octahydro-pyrrolo[3,4-b]pyrrolePyrrolo[3,4-b]pyrrole, octahydro-5-methyl-5-methyl-octahydropyrrolo[2,3-c]pyrrole

名称をさらに表示

オクタヒドロ-5-メチルピロロ[3,4-B]ピロール

MFCD12025507SCHEMBL1222706SCHEMBL2480241SCHEMBL20521685DTXSID70585551DLUDAUJQMXTXGQ-UHFFFAOYSA-NHFA41459MFCD09702262

データベース識別子

CAS: 132414-59-6
PubChem CID: 16228899
DTXSID: DTXSID70585551
EC Number: 895-194-4

物性

構造計算による物性

XLogP: 0.1
極性表面積: 15.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 113

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)

化学と産業

応用分野

使用5-Methyl-1H-hexahydropyrrolo[3,4-b]pyrrole can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.