DL-アドレナリン

DL-アドレナリン · rac-(R*)-α-[(メチルアミノ)メチル]-3,4-ジヒドロキシベンジルアルコール · ラセミ型エピネフリン · (±)-エピレナミン · rac-4-[(R*)-1-ヒドロキシ-2-(メチルアミノ)エチル]-1,2-ベンゼンジオール · DL-エピレナミン · エピレナミン · (±)-アドレナリン

https://huagongshe.com/ja/chemical/838

識別子と物理属性

CAS No.	329-65-7
分子式	C9H13NO3
平均分子量	183.2 g/mol
単同位体質量	183.08954328 g/mol
SMILES	CNCC(O)c1ccc(O)c(O)c1
InChIKey	UCTWMZQNUQWSLP-UHFFFAOYSA-N
PubChem CID	838
ChEMBL	CHEMBL1740
ChEBI	CHEBI:33568
EC No.	206-347-6
DTXSID	DTXSID80858965
現地名	DL-アドレナリン

化学・物理的性質

XLogP	-1.4
極性表面積	72.7
水素結合供与体数	4
水素結合受容体数	4
回転可能結合数	3
重原子数	13
形式電荷	0
複雑度	154
溶解度	Sparingly soluble (NTP, 1992)0.1 M HCL : 2.5 mg/mL (13.65 mMultrasonic and adjust pH to 1 with HCl)DMSO : 1 mg/mL (5.46 mMultrasonic and adjust pH to 7 with HCl)Ethanol : < 1 mg/mL (insoluble)H2O : < 0.1 mg/mL (insoluble)難溶性
融点	412 to 414 °F (NTP, 1992)197 °C (dec.)(lit.)
Physical Description	3,4-dihydroxyl-alpha-[methylamino]methylbenzyl alcohol appears as odorless light brown or nearly white crystals. (NTP, 1992)
沸点	316.88°C (rough estimate)
比旋光度	-0.5~+0.5°(D/20)(c=1,0.1mol/l HCl)
密度	1.1967 (rough estimate)
屈折率	1.4760 (estimate)
貯蔵条件	2-8°C
pKa（酸解離定数）	9.60±0.10(Predicted)
外観・状態	Powder
Merck	14,3619
InChI	InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
InChIKey	UCTWMZQNUQWSLP-UHFFFAOYSA-N
SMILES	C1(O)=CC=C(C(O)CNC)C=C1O
CAS データベース	329-65-7(CAS DataBase Reference)
EPAの化学物質情報	4-[1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol (329-65-7)

化学的特性

Solid

安全性と法規制

GHS 分類	DangerH311 (97.6%): Toxic in contact with skin [Danger Acute toxicity, dermal]P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
輸送ラベル（DOT）	Poison
火災危険	Flash point data for this compound are not available, however, it is probably combustible. (NTP, 1992)
健康有害性	SYMPTOMS: Pallor, tremor, anxiety, nervousness, rapid, forceful pulse, rise in blood pressure and temperature, rapid breathing, dilation of the pupils. (NTP, 1992)
反応性グループ	Amines, Phosphines, and Pyridines
Reactivity Profile	Light sensitive. Incompatible with heat, air, iron salts, and alkalis. (NTP, 1992). An organic compound with both amine and alcohol substituents. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Incompatible with heat, air, iron salts, and alkalis. (NTP, 1992).
Air and Water Reactions	Slightly water soluble (NTP, 1992).
Hazard Classes and Categories	Acute Tox. 3 (97.6%)
消火	Fires involving this material can be controlled with a dry chemical, carbon dioxide, foam, or Halon extiguisher. (NTP, 1992)
応急処置	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

用途

使用

DL-Adrenaline is a hormone and a neurotransmitter secreted by the medulla of the adrenal glands. In medicine DL-Adrenaline is used chiefly as a stimulant in cardiac arrest, as a vasoconstrictor in shock, and as a bronchodilator and antispasmodic in bronch

一般的な説明

Odorless light brown or nearly white crystals.