5-[N-(3',5'-Bistrifluoromethylbenzyl)amino]-2-methyltetrazole

HCID 23073221

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

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