CAS 876-33-5 MFCD01114582-1-[(aminooxy)methyl]-4-methoxybenzene hydrochloride 4-甲氧基苄氧胺盐酸盐 TAO{mole}

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

SMILES: COc1ccc(CON)cc1.Cl

化学属性

Mol. Formula	C8H12ClNO2
Mol. Weight	189.64
Melting Point	209-211°C
Density
Boiling Point	286.5°C at 760 mmHg

别名和识别编码

Chemical Name	1-[(aminooxy)methyl]-4-methoxybenzene hydrochloride
CAS Number	876-33-5
Alfabeta Name	AMINOOXYMETHYLMETHOXYBENZENEHYDROCHLORIDE 14[]()---
MDL Number	MFCD01114582
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 Translation	4-甲氧基苄氧胺盐酸盐
InChIKey	DHEZQYZJFCIQQA-UHFFFAOYSA-N
Wiswesser Line Notation	ZO1R DO1 &GH
EC Number
Beilstein Registry Number
PubChem Substance ID	120425
LabNetwork Molecule ID	LN00147884
InChI	InChI=1S/C8H11NO2.ClH/c1-10-8-4-2-7(3-5-8)6-11-9;/h2-5H,6,9H2,1H3;1H
Canonical SMILES	NOCC1=CC=C(OC)C=C1.[H]Cl

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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

H-bond Acceptors

H-bond Donors

LogP