1-[(aminooxy)methyl]-4-methoxybenzene hydrochloride 4-甲氧基苄氧胺盐酸盐

CAS 876-33-5 MFCD01114582

化学结构图

876-33-5
SMILES: COc1ccc(CON)cc1.Cl

化学属性

Mol. FormulaC8H12ClNO2
Mol. Weight189.64
Melting Point209-211°C
Density
Boiling Point286.5°C at 760 mmHg

别名和识别编码

Chemical Name1-[(aminooxy)methyl]-4-methoxybenzene hydrochloride
CAS Number876-33-5
Alfabeta NameAMINOOXYMETHYLMETHOXYBENZENEHYDROCHLORIDE 14[]()---
MDL NumberMFCD01114582
Synonym O-(4-Methoxybenzyl)hydroxylamine hydrochloride {LY} O-(4-Methoxybenzyl)hydroxylamine hydrochloride {} {LY} O-(4-Methoxybenzyl)hydroxylamine hydrochloride {} {} {LY} O-(4-Methoxybenzyl)hydroxylamine hydrochloride {} {} {} {LY} O-(4-Methoxybenzyl)hydroxylamine hydrochloride {} {} {} {} {LY} O-(4-Methoxybenzyl)hydroxylamine hydrochloride {} {} {} {} {} {LY} O-(4-Methoxybenzyl)hydroxylamine hydrochloride {} {} {} {} {} {} {LY} O-(4-Methoxybenzyl)hydroxylamine hydrochloride {} {} {} {} {} {} {} {LY} O-(4-Methoxybenzyl)hydroxylamine hydrochloride {} {} {} {} {} {} {} {} {LY} O-(4-Methoxybenzyl)hydroxylamine hydrochloride {} {} {} {} {} {} {} {} {} {LY} O-(4-Methoxybenzyl)hydroxylamine hydrochloride {} {} {} {} {} {} {} {} {} {} {LY} O-(4-Methoxybenzyl)hydroxylamine hydrochloride {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} O-(4-Methoxybenzyl)hydroxylamine hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-(4-Methoxybenzyl)hydroxylamine h
Chemical Name Translation4-甲氧基苄氧胺盐酸盐
InChIKeyDHEZQYZJFCIQQA-UHFFFAOYSA-N
Wiswesser Line NotationZO1R DO1 &GH
EC Number
Beilstein Registry Number
PubChem Substance ID120425
LabNetwork Molecule IDLN00147884
InChIInChI=1S/C8H11NO2.ClH/c1-10-8-4-2-7(3-5-8)6-11-9;/h2-5H,6,9H2,1H3;1H
Canonical SMILESNOCC1=CC=C(OC)C=C1.[H]Cl
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分类

  • {KO} Hydroxylamines
  • {SNA} Amines, Building Blocks, C8, Chemical Synthesis, Ethers, Nitrogen Compounds, Organic Building Blocks, Oxygen Compounds

安全信息

Warnings IRRITANT
RTECSNC3700000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 650 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 7,329,1964

GHS Symbol
UN Number
Hazard Codes Xn
Signal word Warning
WGK Germany3
Safety Statements
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • P301 IF SWALLOWED: 如果吞下去
Packing Group
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
3
H-bond Donors
1
LogP
1

系列性分类

  1. C8 - Amines
  1. Functional Group 官能团索引
  2. hydroxylamine

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