N-Methylbenzeneethanamine (HCID 11503)

概要

N-methylphenethylamine has been reported in Senegalia berlandieri, Senegalia roemeriana, and other organisms with data available.

名称と識別子

優先名称: N-Methylbenzeneethanamine
IUPAC: N-methyl-2-phenylethanamine
現地名: N-メチル-2-フェニルエチルアミン
英語名: N-Methylphenethylamine
分子式: C9H13N
分子量: 135.21

名称と別名

N-Methylphenethylamine589-08-2N-Methyl-2-phenylethanamineBenzeneethanamine, N-methyl-N-Methyl-N-(2-phenylethyl)amineN-methyl-2-phenyl-ethanamineN-Methylbenzeneethanaminen-methylphenylethylamineNSC-11395702N4V81704DTXSID10207629RefChem:830761

名称をさらに表示

N-メチル-2-フェニルエチルアミンN-メチルフェネチルアミンN-メチルベンゼンエタンアミンN-メチル-2-フェニルエタンアミンフェネチルメチルアミンメチルフェネチルアミンN‐メチルフェネチルアミンN-メチル-N-(2-フェニルエチル)アミンN-メチル-フェネチルアミンメチル(2-フェニルエチル)アミンWIN 5553JACS-589-08-2Phenethylmethylaminen-methyl-phenethylamin

DTXCID10130120209-632-3N-Methyl-2-phenylethylamineN-Methyl-phenethylamine1-Phenyl-2-methylaminoethaneMethyl(2-Phenylethyl)AmineMethyl-phenethyl-aminePHENETHYLAMINE, N-METHYL-

データベース識別子

CAS: 589-08-2
PubChem CID: 11503
DTXSID: DTXSID10207629
ChEMBL: CHEMBL45763
UNII: 02N4V81704
EC Number: 209-632-3
Nikkaji: J53.745D

物性

構造計算による物性

XLogP: 1.9
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 10
形式電荷: 0
複雑度: 74.8

実験および物理化学的性質

DrugsDEA NFLIS-Drug Category -> Phenethylamines

LogP1.68

Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点: 116 °C · 116°C (estimate)
沸点: 203 °C · 203 °C(lit.)
比重(密度): 0.93 g/mL · 0.93 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.516(lit.)
闪点: 165 °F · 165 °F
貯蔵温度: Refrigerator, under inert atmosphere
溶解性: クロロホルム（少量）、メタノール（少量）
酸解離定数(Pka): 10.31 · pKa 10.31(H2O,t undefined,I undefined) (Uncertain)
外見: 液体
色: 無色透明～薄黄色
比重: 0.93 · 0.930
BRN: 636347 · 636347
InChI: 1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey: SASNBVQSOZSTPD-UHFFFAOYSA-N
SMILES: CNCCc1ccccc1
CAS データベース: 589 · 589-08-2(CAS DataBase Reference)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

安全データ

F: 10-34
wgk: 3
rtecs: SH9625000
ridadr: UN 2735 8/PG 3
hs_code: 29214900
risk_code: 34-42/43-52/53-41-22
消防法: 危-4-3-III
hazard_code: C,Xn
hazard_note: Corrosive
safety_code: 26-36/37/39-45-61-39
hazard_class: 8
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用N-Methyl-phenethylamine can be used as a reactant: To synthesize N-methyl-phenethylamine based tertiary amines by reacting with different alkyl halides in the presence of triphenylphosphine (TPP) and diisopropylazocarboxylate (DIAD) via N-alkylation reaction. To fabricate photochemically stable, super-sensitive, and highly selective fluorescent film for the detection of N-methamphetamine (an illicit drug). To prepare biologically active squaric acid N-hydroxylamide amide derivatives.