1-(2-(3,4-dichlorophenoxy)-5-fluorophenyl)-N-methylmethanamine

HCID 9861124
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基本情報

CAS
289716-94-5
標準SMILES
CNCc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1
InChIKey
FQEBOQLYHASAOY-UHFFFAOYSA-N
分子式
C14H12Cl2FNO
平均分子量
300.2 g/mol
単同位体質量
299.02799758

名称と識別子

優先名称
1-(2-(3,4-dichlorophenoxy)-5-fluorophenyl)-N-methylmethanamine
IUPAC
1-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine

名称と別名

289716-94-51-(2-(3,4-dichlorophenoxy)-5-fluorophenyl)-N-methylmethanamineCP-607366DTXSID6047280UNII-I98GXM21LMI98GXM21LMDTXCID4027280Benzenemethanamine, 2-(3,4-dichlorophenoxy)-5-fluoro-N-methyl-1-[2-(3,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamineRefChem:74027{[2-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl}(methyl)amineCHEMBL488060
名称をさらに表示
([2-(3,4-Dichlorophenoxy)-5-fluorophenyl]methyl)(methyl)amine[2-(3,4-Dichlorophenoxy)-5-Fluorobenzyl]-Methylaminestarbld0027127SCHEMBL5838185FQEBOQLYHASAOY-UHFFFAOYSA-NPLA71694Tox21_300444BDBM50246182

データベース識別子

CAS
289716-94-5
PubChem CID
9861124
DTXSID
DTXSID6047280
ChEMBL
CHEMBL488060
UNII
I98GXM21LM
EC Number
973-531-7

物性

構造計算による物性

XLogP
4.2
極性表面積
21.3 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
4
重原子数
19

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section173.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6047280]

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

関連反応

3 件
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