direct yellow 96, tetramethylammonium salt
基本情報
- CAS
131013-83-7- 標準SMILES
C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.Cc1cc(Nc2nc(NCCO)nc(Nc3ccc(N=Nc4cc(S(=O)(=O)O)c5cccc(S(=O)(=O)O)c5c4)c(C)c3)n2)ccc1N=Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1- InChIKey
LHFXJHQDOAGCIB-UHFFFAOYSA-N- 分子式
- C55H82N14O13S4+4
- 平均分子量
- 1,275.6 g/mol
- 単同位体質量
- 1,274.50686342
概要
See other relationships...
名称と識別子
- 優先名称
- direct yellow 96, tetramethylammonium salt
- IUPAC
- 3-[[4-[[4-[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid;tetrakis(tetramethylazanium)
名称と別名
Direct yellow 96, tetramethylammonium saltMethanaminium, N,N,N-trimethyl-, salt with 3,3'-((6-((2-hydroxyethyl)amino)-1,3,5-triazine-2,4-diyl)bis(imino(2-methyl-4,1-phenylene)azo))bis(1,5-naphthalenedisulfonic acid) (4:1)EC 405-950-31,5-Naphthalenedisulfonic acid, 3,3'-((6-((2-hydroxyethyl)amino)-1,3,5-triazine-2,4-diyl)bis(imino(2-methyl-4,1-phenylene)azo))bis-, ion(4-), tetrakis(N,N,N-trimethylmethanaminium)Tetrakis(tetramethylammonium)-3,3'-(6-(2-hydroxyethylamino)-1,3,5-triazine-2,4-diylbisimino(2-methyl-4,1-phenyleneazo))bisnaphthalene-1,5-disulfonateMethanaminium, N,N,N-trimethyl-, salt with 3,3'-[[6-[(2-hydroxyethyl)amino]-1,3,5-triazine-2,4-diyl]bis[imino(2-methyl-4,1-phenylene)azo]]bis[1,5-naphthalenedisulfonic acid] (4:1)RefChem:589156405-950-3131013-83-73-[[4-[[4-[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-3-methylanilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid;tetramethylazaniumMethanaminium, N,N,N-trimethyl-, salt with 3,3-6-(2-hydroxyethyl)amino-1,3,5-triazine-2,4-diylbisimi
データベース識別子
- CAS
物性
構造計算による物性
- 極性表面積
- 395 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 23
- 回転可能結合数
- 15
- 重原子数
- 86
- 形式電荷
- 4
- 複雑度
- 2,030
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 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 Information
REACH registered substance: Tetrakis(tetramethylammonium)-3,3'-(6-(2-hydroxyethylamino)-1,3,5-triazine-2,4-diylbisimino(2-methyl-4,1-phenyleneazo))bisnaphthalene-1,5-disulfonate (EC: 405-950-3)
Direct yellow 96, tetramethylammonium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)
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