N-アセチルアンフェタミン

Acetylamphetamine

HCID 26660CAS 14383-60-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)NC(C)Cc1ccccc1
InChIKey: YPKBVWZHVTZSPU-UHFFFAOYSA-N
分子式: C11H15NO
平均分子量: 177.24 g/mol
単同位体質量: 177.1153641

名称と識別子

優先名称: Acetylamphetamine
IUPAC: N-(1-phenylpropan-2-yl)acetamide
現地名: N-アセチルアンフェタミン
英語名: N-acetylamphetamine
分子式: C11H15NO
分子量: 177.24

名称と別名

N-Acetylamphetamine14383-60-9acetylamphetamineRefChem:552478N-(1-phenylpropan-2-yl)acetamideAcetamide, N-(1-methyl-2-phenylethyl)-N-(1-Methyl-2-phenylethyl)acetamideN-(alpha-Methylphenethyl)acetamideAcetamide, N-(.alpha.-methylphenethyl)-ACETAMIDE, N-(alpha-METHYLPHENETHYL)-MLS000532578SCHEMBL259640

名称をさらに表示

N-(α-メチルフェネチル)アセトアミドN-アセチルアンフェタミンN-アセチル-β-フェニルイソプロピルアミンN-(1-メチル-2-フェニルエチル)アセトアミドN-(1-フェニルプロパン-2-イル)アセトアミドDL-Acetylamphetamine

CHEMBL1588171SCHEMBL28285605DTXSID50932120CHEBI:191146HMS2156K14HMS3312M14N-(alpha-methylphenethyl) acetamideN-(.alpha.-Methylphenethyl)acetamide

データベース識別子

CAS: 14383-60-9
PubChem CID: 26660
ChEMBL: CHEMBL1588171
ChEBI: CHEBI:191146
EC Number: 111-691-4
Nikkaji: J15.225K

物性

構造計算による物性

XLogP: 1.9
極性表面積: 29.1 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: 13
形式電荷: 0
複雑度: 161

実験および物理化学的性質

Kovats Retention Index1505；1505

物理化学的性質

融点: 67 °C · 67 °C
沸点: 180 · 180-185 °C(Press: 13 Torr)
比重(密度): 0.995 · 0.995±0.06 g/cm3(Predicted)
酸解離定数(Pka): 16.15 · 16.15±0.46(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H300+H330 (100%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]；H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]；H361fd (100%): Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity]；H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P203, P260, P261, P264, P270, P271, P280, P284, P301+P316, P304+P340, P316, P318, P319, P320, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 2 (100%)；Acute Tox. 2 (100%)；STOT SE 3 (100%)；Repr. 2 (100%)；STOT RE 2 (100%)

化学と産業

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