1-(テトラヒドロ-2H-ピラン-4-イル)-4-ピペリジンアミン二塩酸塩

1-(Oxan-4-yl)piperidin-4-amine dihydrochloride

HCID 45156751CAS 755039-78-2

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.Cl.NC1CCN(C2CCOCC2)CC1
InChIKey: HYXJEJRVAXONMK-UHFFFAOYSA-N
分子式: C10H22Cl2N2O
平均分子量: 257.2 g/mol
単同位体質量: 256.11091868

名称と識別子

優先名称: 1-(Oxan-4-yl)piperidin-4-amine dihydrochloride
IUPAC: 1-(oxan-4-yl)piperidin-4-amine;dihydrochloride
現地名: 1-(テトラヒドロ-2H-ピラン-4-イル)-4-ピペリジンアミン二塩酸塩
英語名: 1-(Tetrahydro-2H-pyran-4-yl)piperidin-4-amine
分子式: C10H20N2O
分子量: 184.28

名称と別名

755039-78-21-(oxan-4-yl)piperidin-4-amine dihydrochlorideRefChem:428147851-554-21-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-AMINE DIHYDROCHLORIDE1-(tetrahydro-2H-pyran-4-yl)-4-piperidinamine dihydrochlorideMFCD097591921-(oxan-4-yl)piperidin-4-amine;dihydrochloride4-Amino-1-(oxan-4-yl)piperidine dihydrochloride1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-AMINEDIHYDROCHLORIDESCHEMBL1699897DTXSID10669521

名称をさらに表示

1-(tetrahydro-2H-pyran-4-yl)-4-piperidinamine1-(Tetrahydro-2H-pyran-4-yl)piperidin-4-amine4-Amino-1-(tetrahydro-2H-pyran-4-yl)piperidine4-AMINO-1-(TETRAHYDRO-4H-PYRAN-4-YL)PIPERIDINE1-(oxan-4-yl)piperidin-4-amine,dihydrochloride4-piperidinamine, 1-(tetrahydro-2H-pyran-4-yl)-4-AMino-1-(tetrahydro-4H-pyran-4-yl)piperidine 2HCl1-(tetrahydro-2H-pyran-4-yl)-4-piperidinamine(SALTDATA: 2.1HCl)

WLZ4444HYXJEJRVAXONMK-UHFFFAOYSA-NAKOS015894632DS-8815SB43401SY290554DB-115950CS-0130125

データベース識別子

CAS: 755039-78-2、794471-13-9
PubChem CID: 45156751
DTXSID: DTXSID10669521
EC Number: 851-554-2

物性

構造計算による物性

極性表面積: 38.5 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 149

物理化学的性質

沸点: 278.3 · 278.3±40.0 °C(Predicted)
比重(密度): 1.045 · 1.045±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 10.44 · 10.44±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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)

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