3-ピペリジノ安息香酸

3-(Piperidin-1-yl)benzoic acid

HCID 2795552

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 77940-94-4
標準SMILES: O=C(O)c1cccc(N2CCCCC2)c1
InChIKey: FLQRORYAJSTYLT-UHFFFAOYSA-N
分子式: C12H15NO2
平均分子量: 205.25 g/mol
単同位体質量: 205.11027872

名称と識別子

優先名称: 3-(Piperidin-1-yl)benzoic acid
IUPAC: 3-piperidin-1-ylbenzoic acid
現地名: 3-ピペリジノ安息香酸
英語名: 3-Piperidinobenzoic acid
分子式: C12H15NO2
分子量: 205.25

名称と別名

3-(piperidin-1-yl)benzoic acidRefChem:495863630-123-077940-94-43-Piperidinobenzoic acid3-Piperidin-1-yl-benzoic acid3-piperidin-1-ylbenzoic acid3-(1-Piperidinyl)benzoic acidMFCD066590813-piperidylbenzoic acid1-(3-Carboxyphenyl)piperidineMinoxidil Impurity 29

名称をさらに表示

3-ピペリジノ安息香酸TIMTEC-BB SBB010196Minoxidil Impurity 36ASINEX-REAG BAS 12456716Benzoic acid, 3-(1-piperidinyl)-Terbufos Impurity 4 (Terbufoxon Sulfone)

3-(1-Piperidyl)benzoic Acid3-(piperidin-1-yl)benzoicacidorb3030996SCHEMBL1517128SCHEMBL29630979DTXSID30383772CHEBI:195075FLQRORYAJSTYLT-UHFFFAOYSA-N

データベース識別子

CAS: 77940-94-4
PubChem CID: 2795552
DTXSID: DTXSID30383772
ChEBI: CHEBI:195075
EC Number: 630-123-0

物性

構造計算による物性

XLogP: 2.5
極性表面積: 40.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 224

物理化学的性質

融点: 120 °C · 120 °C
貯蔵温度: Store at Room Tem.
外見: powder
色: Off-white

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, 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 2 reports by companies from 2 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2933399990
risk_code: 36
hazard_code: Xi
safety_code: 26
hazard_class: IRRITANT

化学と産業

サプライヤー23 社

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]

化合物ノート

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