基本情報
- CAS
669080-86-8- 標準SMILES
Cn1nnc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1- InChIKey
BSPJOHYVYIDKRI-UHFFFAOYSA-N- 分子式
- C11H9F6N5
- 平均分子量
- 325.21 g/mol
- 単同位体質量
- 325.07621461
名称と識別子
- 優先名称
- 5-[N-(3',5'-Bistrifluoromethylbenzyl)amino]-2-methyltetrazole
- IUPAC
- N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
- 英語名
- 5-[N-(3',5'-Bistrifluoromethylbenzyl)amino]-2-methyltetrazole
- 分子式
- C11H9F6N5
- 分子量
- 325.21
名称と別名
669080-86-85-[N-(3',5'-Bistrifluoromethylbenzyl)amino]-2-methyltetrazoleMFCD09752652N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amineN-[3,5-bis(trifluoromethyl)benzyl]-2-methyl-2H-tetrazol-5-amineN-(3,5-Bis(trifluoromethyl)benzyl)-2-methyl-2H-tetrazol-5-amineC11H9F6N5SCHEMBL1599487DTXSID00630265AKOS025311565AS-11286A12744
名称をさらに表示
5-[N-(3'5'-BistrifluoroMethylbenzyl)aMino]-2-Methyltetrazole2H-Tetrazol-5-amine, N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-5-[N-(3′,5′-Bistrifluoromethylbenzyl)amino]-2-methyltetrazole, CAS 669080-86-8
[3,5-bis(trifluoromethyl)benzyl](2-methyl-2H-tetrazol-5-yl)amine5-{[3,5-bis(trifluoromethyl)benzyl]amino}-2-methyl-2H-tetrazoleN-(3,5-bis(trifluoromethyl)benzyl)-2-methyl-2H-tetrazole-5-amine[3,5-bis(trifluoromethyl)phenylmethyl](2-methyl-2H-tetrazol-5-yl)amineN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-tetrazol-5-amineN-[3,5-bis(trifluoromethyl)benzyl]-N-(2-methyl-2H-tetrazol-5-yl)amineN-{[3,5-Bis(trifluoromethyl)phenyl]methyl}-2-methyl-2H-tetrazol-5-amineN-[3,5-bis(trifluoromethyl)phenylmethyl]-N-(2-methyl-2H-tetrazol-5-yl)amine
データベース識別子
- CAS
669080-86-8- PubChem CID
- 23073221
- DTXSID
DTXSID00630265
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 55.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 10
- 回転可能結合数
- 3
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 351
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