3-(ジメチルアミノ)プロピオフェノン塩酸塩

1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)

HCID 92844CAS 879-72-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CN(C)CCC(=O)c1ccccc1.Cl
InChIKey: DKNDBIIKSJWQFL-UHFFFAOYSA-N
分子式: C11H16ClNO
平均分子量: 213.7 g/mol
単同位体質量: 213.09204181

名称と識別子

優先名称: 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
IUPAC: 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride
現地名: 3-(ジメチルアミノ)プロピオフェノン塩酸塩
英語名: 3-DIMETHYLAMINOPROPIOPHENONE HYDROCHLORIDE
分子式: C11H16ClNO
分子量: 213.7

名称と別名

879-72-13-(Dimethylamino)propiophenone hydrochlorideNSC 891-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloridebeta-Dimethylaminopropiophenone hydrochlorideEINECS 212-909-1NSC 31269Propiophenone, 3-(dimethylamino)-, hydrochlorideDTXSID90612531-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)RefChem:77162DTXCID8048604

名称をさらに表示

3-(ジメチルアミノ)プロピオフェノン塩酸塩1-フェニル-3-(ジメチルアミノ)-1-プロパノン·塩酸塩ω-(ジメチルアミノ)プロピオフェノン·塩酸塩β-(ジメチルアミノ)プロピオフェノン·塩酸塩3-ジメチルアミノプロピオフェノン塩酸塩3‐ジメチルアミノプロピオフェノン塩酸塩3-(ジメチルアミノ)プロピオフェノン塩酸塩á-dapbeta-DAPNSC 629913LABOTEST-BB LT004544263-(DIMETHYLAMINO)PROPIOPHENONEHCLBETA-DIMETHYLAMINOPROPIOPHENONE HCL-DimethylaminopropiophenoneHydrochlorideB-DimethylaminopropiophenoneHydrochloride3-(dimethylamino)-1-phenylpropan-1-one HCl

UN2811betaDimethylaminopropiophenone hydrochloridePropiophenone, 3(dimethylamino), hydrochloride1Propanone, 3(dimethylamino)1phenyl, hydrochloride1Propanone, 3(dimethylamino)1phenyl, hydrochloride (1:1)212-909-13-(dimethylamino)-1-phenylpropan-1-one hydrochloride3-Dimethylaminopropiophenone hydrochloride

データベース識別子

CAS: 879-72-1
PubChem CID: 92844
DTXSID: DTXSID9061253
ChEMBL: CHEMBL528663
EC Number: 212-909-1

物性

構造計算による物性

極性表面積: 20.3 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: 4
重原子数: 14
形式電荷: 0
複雑度: 159

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

Physical DescriptionWhite odorless crystalline powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 150 · 150-155 °C(lit.)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
色: White to Almost white
水溶解度: ほとんど透明
BRN: 3568398 · 3568398
InChI: InChI=1S/C11H15NO.ClH/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
InChIKey: DKNDBIIKSJWQFL-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1)(=O)CCN(C)C.[H]Cl
CAS データベース: 879 · 879-72-1(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (879-72-1)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryMay cause irritation; Toxic by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 3 (100%)

安全データ

F: 3
wgk: 3
tsca: TSCA listed
rtecs: UH0600000
ridadr: UN 2811 6.1/PG 3
hs_code: 29223900
risk_code: 25-36/38
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects