1-フェニル-2-(ジメチルアミノ)-1-プロパノール

N-Methylephedrine

HCID 4374CAS 1201-56-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C(O)c1ccccc1)N(C)C
InChIKey: FMCGSUUBYTWNDP-UHFFFAOYSA-N
分子式: C11H17NO
平均分子量: 179.26 g/mol
単同位体質量: 179.13101416

概要

Methylephedrine is a member of amphetamines.

名称と識別子

優先名称: N-Methylephedrine
IUPAC: 2-(dimethylamino)-1-phenylpropan-1-ol
現地名: 1-フェニル-2-(ジメチルアミノ)-1-プロパノール
英語名: L-N-METHYLEPHEDRINE HYDROCHLORIDE, 99
分子式: C11H17NO
分子量: 179.26

名称と別名

N-MethylephedrineRefChem:830711Methylephedrin17605-71-91-Phenyl-2-dimethylaminopropanol2-(Dimethylamino)-1-phenyl-1-propanol(1R,2S)-(-)-N-MethylephedrineMethylephedrin [German](1S,2S)-2-(dimethylamino)-1-phenylpropan-1-ol1201-56-5n-methyl-ephedrine(1Rs,2Rs)-2-dimethylamino-1-phenylpropan-1-ol

名称をさらに表示

2-ジメチルアミノ-1-フェニル-1-プロパノール2-(ジメチルアミノ)-1-フェニルプロパン-1-オールN-メチルエフェドリンα-[1-(ジメチルアミノ)エチル]ベンジルアルコールα-[1-(ジメチルアミノ)エチル]ベンゼンメタノールN,N,α-トリメチル-β-ヒドロキシベンゼンエタンアミン1-フェニル-2-(ジメチルアミノ)-1-プロパノール1-フェニル-2-ジメチルアミノ-1-プロパノール2-(dimethylamino)-1-phenylpropan-1-olα-[1-(Dimethylamino)ethyl]benzenemethanolalpha-(1-(dimethylamino)ethyl)-benzylalcohoBenzenemethanol, α-[1-(dimethylamino)ethyl]-(-)-alpha-(1-Dimethylaminoethyl)benzyl alcohol

N,N-DimethylnorephedrineL-N-METHYLEPHEDRINE HYDROCHLORIDE, 99SCHEMBL99674SCHEMBL5366753SCHEMBL5366759BENZYL ALCOHOL, alpha-(1-(DIMETHYLAMINO)ETHYL)-CHEMBL4792285CHEBI:90046

データベース識別子

CAS: 1201-56-5、17605-71-9、552-79-4
PubChem CID: 4374
DTXSID: DTXSID70859481
ChEMBL: CHEMBL4792285
ChEBI: CHEBI:90046
EC Number: 209-022-7、214-859-6
Nikkaji: J28.539K

物性

構造計算による物性

XLogP: 1.7
極性表面積: 23.5 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: 13
形式電荷: 0
複雑度: 141

実験および物理化学的性質

DrugsPharmaceuticals -> Used in Switzerland

Melting Point87.5 °C

Physical DescriptionSolid

物理化学的性質

融点: 192 · 192-194°C
沸点: 311.8 °C · 311.8°C (rough estimate)
比重(密度): 1.002 · 1.0020 (rough estimate)
屈折率: 1.532 · 1.5320 (estimate)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 1 件

List I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 29394900
risk_code: 36/37/38
safety_code: 26-36

化学と産業

用途と製造

DEA Listed Chemicals · 2 件

N-Methylephedrine, its salts, optical isomers, and salts of optical isomers (N-Methylephedrine)

A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)