基本情報
- CAS
76994-37-1- 標準SMILES
CC(=O)[O-].CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1- InChIKey
ZACIFCVOARIOBT-UHFFFAOYSA-M- 分子式
- C27H33N2.C2H3O2
- 平均分子量
- 444.6 g/mol
- 単同位体質量
- 444.2776784
名称と識別子
- 優先名称
- Ethanaminium, N-(4-((4-(diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, acetate (1:1)
- IUPAC
- [4-[[4-(diethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium acetate
- 現地名
- N-[4-[[4-(ジエチルアミノ)フェニル]フェニルメチレン]-2,5-シクロヘキサジエン-1-イリデン]-N-エチルエタンアミニウム・アセタート
- 英語名
- [4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium acetate
- 分子式
- C31H43N3O4
- 分子量
- 521.69082
名称と別名
76994-37-1EINECS 278-585-9DTXSID6072845(4-((4-(Diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)diethylammonium acetateEthanaminium, N-(4-((4-(diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, acetate (1:1)N-(4-((4-(Diethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene-N-ethylethanaminium, acetate[4-[[4-(Diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium acetateEthanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, acetate (1:1)RefChem:138116DTXCID2047931278-585-9Ethanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, acetate
名称をさらに表示
N-[4-[[4-(ジエチルアミノ)フェニル]フェニルメチレン]-2,5-シクロヘキサジエン-1-イリデン]-N-エチルエタンアミニウム・アセタートBrilliant Green LiquidC.I. Basic Green 4 acetateEthanaminium, N-4-4-(diethylamino)phenylphenylmethylene-2,5-cyclohexadien-1-ylidene-N-ethyl-, acetate
物性
構造計算による物性
- 極性表面積
- 46.4 Ų
- 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
- 7
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 592
物理化学的性質
- 沸点
- 126.3 ℃[at · 126.3℃[at 101 325 Pa]
- 比重(密度)
- 1.11 · 1.11[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 水溶解度
- 100 g/L · 100g/L at 25℃
- LogP
- 3.757 at · 3.757 at 25℃
- EPAの化学物質情報
- 4 · Ethanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, acetate (76994-37-1)
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
This chemical does not meet GHS hazard criteria for 7.1% (12 of 168) of reports.
Danger
H226 (66.1%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P333+P317, P337+P317, P362+P364, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 168 reports by companies from 11 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: Ethanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-,acetate
REACH registered substance: [4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium acetate (EC: 278-585-9)
Ethanaminium, N-4-4-(diethylamino)phenylphenylmethylene-2,5-cyclohexadien-1-ylidene-N-ethyl-, 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 CategoriesFlam. Liq. 3 (66.1%)
安全データ
- tsca
- TSCA listed
- ridadr
- 3077
- hazard_class
- 9
- packing_group
- III
化学と産業
用途と製造
General Manufacturing InformationEthanaminium, N-[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, acetate (1:1): ACTIVE
サプライヤー3 社
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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