基本情報
- CAS
97337-83-2- 標準SMILES
CNc1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[OH-]- InChIKey
JETATQKWLZODIK-UHFFFAOYSA-N- 分子式
- C24H28N3.HO
- 平均分子量
- 375.5 g/mol
- 単同位体質量
- 375.23106256
名称と識別子
- 優先名称
- (4-((4-(Dimethylamino)phenyl)(4-(methylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium hydroxide
- IUPAC
- [4-[[4-(dimethylamino)phenyl]-[4-(methylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium hydroxide
名称と別名
97337-83-2EINECS 306-577-8(4-((4-(Dimethylamino)phenyl)(4-(methylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium hydroxideDTXSID90242876[4-[[4-(Dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium hydroxideMethanaminium, N-(4-((4-(dimethylamino)phenyl)(4-(methylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, hydroxideMethanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, hydroxide (1:1)Methanaminium, N-(4-((4-(dimethylamino)phenyl)(4-(methylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, hydroxide (1:1)Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, hydroxideRefChem:401909DTXCID20165367306-577-8
名称をさらに表示
94E6F2VYX4NS000933504-{[4-(Dimethylamino)phenyl][4-(methylamino)phenyl]methylene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium hydroxide4-{[4-(Dimethylamino)phenyl][4-(methylamino)phenyl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium hydroxideEINECS 306-577-8, CID3024816, (4-((4-(Dimethylamino)phenyl)(4-(methylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium hydroxide, 97337-83-2, Methanaminium, N-(4-((4-(dimethylamino)phenyl)(4-(methylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, hydroxide
物性
構造計算による物性
- 極性表面積
- 19.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 561
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationChemical: Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,hydroxide
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesEye Dam. 1 (100%)
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