1-ベンジルピペリジン-3-オン塩酸塩水和物

1-Benzyl-3-piperidone hydrochloride hydrate

HCID 3084924

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 346694-73-3
標準SMILES: Cl.O=C1CCCN(Cc2ccccc2)C1
InChIKey: OVWSFXNSJDMRPV-UHFFFAOYSA-N
分子式: C12H16ClNO
平均分子量: 225.71 g/mol
単同位体質量: 225.0920418

名称と識別子

優先名称: 1-Benzyl-3-piperidone hydrochloride hydrate
IUPAC: 1-benzylpiperidin-3-one;hydrochloride
現地名: 1-ベンジルピペリジン-3-オン塩酸塩水和物
英語名: 1-Benzyl-3-piperidone hydrochloride hydrate
分子式: C12H15NO.ClH.H2O
分子量: 243.72982

名称と別名

50606-58-11-Benzyl-3-piperidone Hydrochloride1-Benzyl-3-piperidone HCl hydrateEINECS 256-646-0DTXSID60198654RefChem:429892DTXCID20121145256-646-0688-075-11-benzyl-3-piperidone hydrochloride hydrate346694-73-31-benzylpiperidin-3-one hydrochloride

名称をさらに表示

1-ベンジルピペリジン-3-オン塩酸塩水和物

3-Piperidinone, 1-(phenylmethyl)-, hydrochloride1-Benzyl-3-piperidinone hydrochlorideMFCD000127911-BENZYLPIPERIDIN-3-ONE HCL1-benzylpiperidin-3-one;hydrochlorideAKOS005259740AS-12347B3419

データベース識別子

CAS: 346694-73-3、50606-58-1
PubChem CID: 3084924
DTXSID: DTXSID60198654
EC Number: 256-646-0、688-075-1

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: 2
重原子数: 15
形式電荷: 0
複雑度: 196

物理化学的性質

貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
CAS データベース: 346694 · 346694-73-3

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.