基本情報
- CAS
63157-72-2- 標準SMILES
CC(=O)[O-].CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(N(CC)CC)cc2)cc1- InChIKey
CBMNJIRTNNMVJC-UHFFFAOYSA-M- 分子式
- C31H42N3.C2H3O2
- 平均分子量
- 515.7 g/mol
- 単同位体質量
- 515.35117769
名称と識別子
- 優先名称
- Tris[4-(diethylamino)phenyl]methylium acetate
- IUPAC
- [4-[bis[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium acetate
名称と別名
Tris(4-(diethylamino)phenyl)methylium acetateEINECS 263-974-8tris[4-(Diethylamino)phenyl]methylium acetateEC 263-974-8DTXSID30897445Methylium, tris[4-(diethylamino)phenyl]-, acetateMethylium, tris(4-(diethylamino)phenyl)-, acetateRefChem:900240DTXCID601326788Methylium, tris4-(diethylamino)phenyl-, acetate263-974-863157-72-2
名称をさらに表示
CBMNJIRTNNMVJC-UHFFFAOYSA-MNS00010613
データベース識別子
- CAS
63157-72-2- PubChem CID
- 56841583
- DTXSID
DTXSID30897445- EC Number
- 263-974-8
物性
構造計算による物性
- 極性表面積
- 49.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 10
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 641
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
H301 (98.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 115 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Methylium, tris[4-(diethylamino)phenyl]-, acetate
REACH registered substance: Tris[4-(diethylamino)phenyl]methylium acetate (EC: 263-974-8)
Methylium, tris4-(diethylamino)phenyl-, acetate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 3 (98.3%)
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