O-Methyltyramine (HCID 4657)

名称と識別子

優先名称: O-Methyltyramine
IUPAC: 2-(4-methoxyphenyl)ethanamine
現地名: 2-(4-メトキシフェニル)エチルアミン
英語名: 4-Methoxyphenethylamine
分子式: C9H13NO
分子量: 151.21

名称と別名

4-Methoxyphenethylamine55-81-2Homoanisylaminep-Methoxyphenethylamine4-Methoxybenzeneethanamine4-MethoxyphenylethylamineO-MethyltyramineBenzeneethanamine, 4-methoxy-P-METHOXYPHENYLETHYLAMINE2-(4-Methoxyphenyl)Ethan-1-AmineTyramine, O-methyl-USAF EL-52

名称をさらに表示

2-(4-メトキシフェニル)エチルアミンp-メトキシフェネチルアミン4-メトキシベンゼンエタンアミン1-メトキシ-4-(2-アミノエチル)ベンゼン2-(4-メトキシフェニル)エタンアミンO,N-ジメチルチラミン(4-メトキシフェネチル)アミン4-メトキシフェネチルアミンp-(2-アミノエチル)アニソールホモアニシルアミン[2-(4-メトキシフェニル)エチル]アミンホモアニシラミン2-(p-メトキシフェニル)エチルアミン1-(2-アミノエチル)-4-メトキシベンゼン4-(2-アミノエチル)アニソール2-(4-メトキシフェニル)エタン-1-アミン2-(4-Methoxyphenyl)ethanamineMethyl Tyramine2-(4-METHOXYPHENYL)ETHYLAMINE4-MPEAusafel-52RARECHEM AL BW 0058

PHENETHYLAMINE, p-METHOXY-NSC 43687EINECS 200-245-5BRN 0508967DTXSID6058764NSC-436872-(4-methoxyphenyl)-ethylamineCHEBI:266039

データベース識別子

CAS: 2045-79-6、55-81-2
PubChem CID: 4657
DTXSID: DTXSID6058764
ChEMBL: CHEMBL101036
ChEBI: CHEBI:266039
UNII: UCE8P23XWF
EC Number: 200-245-5、218-066-6
Nikkaji: J74.924I

物性

構造計算による物性

XLogP: 1.6
極性表面積: 35.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 97

実験および物理化学的性質

Kovats Retention Index1318.8；1335.7

物理化学的性質

融点: 249 · 249-251°C
沸点: 138 · 138-140 °C20 mm Hg(lit.)
比重(密度): 1.031 g/mL · 1.031 g/mL at 20 °C(lit.)
屈折率: 20 · n20/D 1.538(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
溶解性: Chloroform (Sparingly), Methanol (Slightly)
酸解離定数(Pka): 9.96 · 9.96±0.10(Predicted)
外見: 液体
色: ライトイエロー
BRN: 508967 · 508967
InChI: InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
InChIKey: LTPVSOCPYWDIFU-UHFFFAOYSA-N
SMILES: C1(CCN)=CC=C(OC)C=C1
CAS データベース: 55 · 55-81-2(CAS DataBase Reference)
NISTの化学物質情報: 4 · Benzeneethanamine, 4-methoxy-(55-81-2)
EPAの化学物質情報: 4 · Benzeneethanamine, 4-methoxy- (55-81-2)

化学的性質

化学的特性clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.9% (1 of 106) of reports.

Danger

H314 (99.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (38.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 106 reports by companies.；There are 3 notifications provided by 105 of 106 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 30-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27340

2-(4-Methoxyphenyl)-ethylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 件

Skin Corr. 1C (99.1%)；Eye Dam. 1 (38.7%)

Skin Corr. 1B (100%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 30-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27340

2-(4-Methoxyphenyl)-ethylamine: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 10-23
wgk: 3
tsca: TSCA listed
rtecs: SH7875000
ridadr: UN 2735 8/PG 3
hs_code: 29222900
risk_code: 34
消防法: 危-4-3-III
hazard_code: C,T
hazard_note: Toxic/Corrosive
safety_code: 26-36/37/39-45-27
hazard_class: 8
packing_group: II
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing InformationBenzeneethanamine, 4-methoxy-: ACTIVE

応用分野

使用4-Methoxyphenethylamine an inhibitor of the deamination of tyramine and tryptamine. It is intermediates of ritodrine. ritodrine is an adrenergic β2 receptor agonists used to prevent premature birth.

一般的な説明4-Methoxyphenethylamine inhibits the monoamine oxidase-catalyzed deamination of both tyramine and tryptamine.

上流・下流製品情報

上流原料

3-(4-Methoxyphenyl)propionamide 1-(2-azidoethyl)-4-methoxy-benzene 1-Methoxy-4-(2-nitroethyl)benzene 1-(4-メトキシフェニル)-2-ニトロエテン 4-メトキシスチレン 4-メトキシフェネチルアルコール 4-メトキシフェニルアセトニトリル

下流製品

4-メトキシフェネチルブロミド N,N-dimethyl-4-methoxyphenylethylamine 4-Methoxy-N-(phenylmethylene)benzeneethanamine N-(4-メトキシフェネチル)シアノアセトアミド Benzenesulfonamide, 5-(2-aminoethyl)-2-methoxy-

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

補足説明

定義ChEBI: 4-methoxyphenylethylamine is a primary amino compound consisting of ethylamine having a 4-methoxyphenyl substituent at the 2-position. It derives from a hydride of a 2-phenylethylamine.

2-(2-メトキシフェニル)エチルアミン

基本情報