4‐モルホリノピペリジン

4-Morpholinopiperidine

HCID 795724

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 53617-35-9
標準SMILES: C1CC(N2CCOCC2)CCN1
InChIKey: YYBXNWIRMJXEQJ-UHFFFAOYSA-N
分子式: C9H18N2O
平均分子量: 170.25 g/mol
単同位体質量: 170.1419132

名称と識別子

優先名称: 4-Morpholinopiperidine
IUPAC: 4-piperidin-4-ylmorpholine
現地名: 4‐モルホリノピペリジン
英語名: 4-Morpholinopiperidine
分子式: C9H18N2O
分子量: 170.25

名称と別名

53617-35-94-Morpholinopiperidine4-(piperidin-4-yl)morpholineDTXSID40355283RefChem:525791DTXCID10306343627-580-34-(Piperidin-4-yl)-morpholine4-piperidin-4-ylmorpholine4-Piperidin-4-yl-morpholine4-(4-piperidyl)morpholine4-morpholino piperidine

名称をさらに表示

4‐モルホリノピペリジン4-ピペリジン-4-イルモルホリン4-(ピペリジン-4-イル)モルホリン4-(ピペリジン-4-イル)-モルホリン4-モルホリノピペリジンAKOS BB-9182CHEMBRDG-BB 4004473TIMTEC-BB SBB0100914-Morpholino-piperidinAlectinib Impurity 27Morpholine,4-(4-piperidinyl)-

MFCD032747334-(4-Piperidinyl) morpholine4-(Morpholin-4-yl)piperidine4-(4-piperidinyl)morpholine4-Morpholinopiperidine, 98%4-(piperidine-4-yl)-morpholineSY0315414-piperidin-4-ylmorpholine dihydrochloride

データベース識別子

CAS: 53617-35-9
PubChem CID: 795724
DTXSID: DTXSID40355283
ChEMBL: CHEMBL4533217
UNII: 24W2YR5EAM
EC Number: 627-580-3
Nikkaji: J2.972.216A

物性

構造計算による物性

XLogP: 0
極性表面積: 24.5 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: 1
重原子数: 12
形式電荷: 0
複雑度: 128

物理化学的性質

融点: 40 · 40-43 °C(lit.)
沸点: 100 · 100-115 °C0.15-0.20 mm Hg(lit.)
比重(密度): 1.033 · 1.033±0.06 g/cm3(Predicted)
蒸気圧: 0.63 · 0.63-4.58Pa at 25-45℃
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: Solid
酸解離定数(Pka): 10.21 · 10.21±0.10(Predicted)
InChI: InChI=1S/C9H18N2O/c1-3-10-4-2-9(1)11-5-7-12-8-6-11/h9-10H,1-8H2
InChIKey: YYBXNWIRMJXEQJ-UHFFFAOYSA-N
SMILES: N1(C2CCNCC2)CCOCC1
LogP: 0.3 at · 0.3 at 25℃ and pH11

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (95.2%): Causes skin irritation [Warning Skin corrosion/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 42 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

Regulatory InformationStatus: Active Update: 16-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20339

Hazard Classes and CategoriesSkin Irrit. 2 (95.2%)

安全データ

wgk: 3
hs_code: 29333990
risk_code: 36/37/38-20/21/22
hazard_code: Xi
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

使用Reactant for synthesis of:Selective adenosine A2A receptor antagonistsAntidepressentsSmall molecules that restore E-cadherin expression and reduce invasion in colorectal carcinoma cellsOrally bioavailable P2Y12 antagonists for inhibition of platelet aggregationQuinoline derivatives with antimicrobial activityAntimalarials