基本情報
- CAS
1245-82-5- 標準SMILES
Brc1ccccc1CNCC1CCC(CNCc2ccccc2Br)CC1.Cl.Cl- InChIKey
AFCKBLSDCKJRLH-UHFFFAOYSA-N- 分子式
- C22H30Br2Cl2N2
- 平均分子量
- 553.2 g/mol
- 単同位体質量
- 550.01528
名称と識別子
- 優先名称
- N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-bromophenyl)methanamine)--hydrogen chloride (1/2)
- IUPAC
- N-[(2-bromophenyl)methyl]-1-[4-[[(2-bromophenyl)methylamino]methyl]cyclohexyl]methanamine;dihydrochloride
名称と別名
DTXSID90924842N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-bromophenyl)methanamine)--hydrogen chloride (1/2)N,N'-[Cyclohexane-1,4-diylbis(methylene)]bis[1-(2-bromophenyl)methanamine]--hydrogen chloride (1/2)RefChem:1090228DTXCID4013536741245-82-5trans-N,N'-Bis(2-bromobenzyl)-1,4-cyclohexanebis(methylamine) dihydrochloride1,4-Cyclohexanebis(methylamine), N,N'-bis(2-bromobenzyl)-, dihydrochloride, (E)-1,4-Cyclohexanebis(methylamine), N,N'-bis(2-bromobenzyl)-, dihydrochloride, (Z)-Benzylamine, N,N'-(1,4-cyclohexylenedimethylene)bis(2-bromo-, dihydrochloride, (E)-cis-N,N'-Bis(2-bromobenzyl)-1,4-cyclohexanebis(methylamine) dihydrochlorideBenzylamine, N,N'-(1,4-cyclohexylenedimethylene)bis(2-bromo-, dihydrochloride, (Z)-
名称をさらに表示
cis-N,N'-(1,4-Cyclohexylenedimethylene)bis(2-bromobenzylamine) dihydrochloride1446-86-2
物性
構造計算による物性
- 極性表面積
- 24.1 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 2
- 回転可能結合数
- 8
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 348
関連反応
0 件
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