1-Methyl-4-(piperidin-4-yl)piperazine

HCID 795707

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基本情報

CAS: 53617-36-0
標準SMILES: CN1CCN(C2CCNCC2)CC1
InChIKey: MRYYJGQKVGZGSB-UHFFFAOYSA-N
分子式: C10H21N3
平均分子量: 183.29 g/mol
単同位体質量: 183.17354767

名称と識別子

優先名称: 1-Methyl-4-(piperidin-4-yl)piperazine
IUPAC: 1-methyl-4-piperidin-4-ylpiperazine
英語名: 1-METHYL-4-(PIPERIDIN-4-YL)-PIPERAZINE
分子式: C10H21N3.C2H4O2
分子量: 243.35

名称と別名

1-Methyl-4-(piperidin-4-yl)piperazine53617-36-0DTXSID30912521RefChem:434353DTXCID201341538679-454-21-methyl-4-(4-piperidinyl)piperazine1-Methyl-4-(piperidin-4-yl)-piperazine1-methyl-4-piperidin-4-ylpiperazine1-Methyl-4-piperidin-4-yl-piperazineC10H21N3MFCD03274729

名称をさらに表示

TIMTEC-BB SBB0101831-methyl-4-(4-piperidinyl)piperazine monoacetate

99726-99-51-methyl-4-(4-piperidyl)piperazineEN300-3650334-methyl-1-(4-piperidyl)piperazinePiperazine, 1-methyl-4-(4-piperidinyl)-1-Methyl-4-(4-piperidino)piperazine1 Methyl-4-(piperidin-4-yl)piperazineBrigatinib RC 1 (Base)

データベース識別子

CAS: 53617-36-0、99726-99-5
PubChem CID: 795707
DTXSID: DTXSID30912521
EC Number: 673-024-8、679-454-2
Nikkaji: J2.867.589E

物性

構造計算による物性

XLogP: 0.2
極性表面積: 18.5 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: 13
形式電荷: 0
複雑度: 146

物理化学的性質

融点: 56 · 56-57°C

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H314 (17.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]