基本情報
- CAS
33318-62-6- 標準SMILES
CCC(C)C(C=NCC(CCN(CC)CC)(c1cccc2ccccc12)C(C)CC)(CCN(CC)CC)c1cccc2ccccc12- InChIKey
ODIJOGTVMRGYAO-UHFFFAOYSA-N- 分子式
- C44H63N3
- 平均分子量
- 634 g/mol
- 単同位体質量
- 633.50219902
名称と識別子
- 優先名称
- 3-(((2-(2-(Diethylamino)ethyl)-3-methyl-2-(naphthalen-1-yl)pentylidene)amino)methyl)-N,N-diethyl-4-methyl-3-(naphthalen-1-yl)hexan-1-amine
- IUPAC
- 3-[[[2-[2-(diethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentylidene]amino]methyl]-N,N-diethyl-4-methyl-3-naphthalen-1-ylhexan-1-amine
名称と別名
DTXSID009549533-(((2-(2-(Diethylamino)ethyl)-3-methyl-2-(naphthalen-1-yl)pentylidene)amino)methyl)-N,N-diethyl-4-methyl-3-(naphthalen-1-yl)hexan-1-amine3-[({2-[2-(Diethylamino)ethyl]-3-methyl-2-(naphthalen-1-yl)pentylidene}amino)methyl]-N,N-diethyl-4-methyl-3-(naphthalen-1-yl)hexan-1-amineRefChem:1066248DTXCID00138296033318-62-61-Naphthalenepropylamine, gamma,gamma'-nitrilodimethylenebis(gamma-sec-butyl-N,N-diethyl-NSC 171431BRN 3025957NSC171431gamma,gamma'-Nitrilodimethylenebis(gamma-sec-butyl-N,N-diethyl-1-naphthalenepropylamine)NSC-171431
名称をさらに表示
1,4-Butanediamine, 2-sec-butyl-N1-(2-(2-(diethylamino)ethyl)-3-methyl-2-(1-naphthyl)pentylidene)-N4,N4-diethyl-2-(1-naphthyl)-WLN: L66J BXY2&1&2N2&2&1UN1XY2&1&2N2&2&- BL66J1-Naphthalenepropylamine,.gamma.'-nitrilodimethylenebis(.gamma.-sec-butyl-N,N-diethyl-1, 2-sec-butyl-N1-[2-[2-(diethylamino)ethyl]-3-methyl-2-(1-naphthyl)pentylidene]-N4,N4-diethyl-2-(1-naphthyl)-
データベース識別子
物性
構造計算による物性
- XLogP
- 11.5
- 極性表面積
- 18.8 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
- 19
- 重原子数
- 47
- 形式電荷
- 0
- 複雑度
- 893
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