4-(ジメチルアミノ)ピペリジン

N,N-Dimethylpiperidin-4-amine

HCID 417391CAS 50533-97-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CN(C)C1CCNCC1
InChIKey: YFJAIURZMRJPDB-UHFFFAOYSA-N
分子式: C7H16N2
平均分子量: 128.22 g/mol
単同位体質量: 128.13134851

概要

N,N-Dimethyl-N-(4-piperidinyl)amine is an aminopiperidine.

名称と識別子

優先名称: N,N-Dimethylpiperidin-4-amine
IUPAC: N,N-dimethylpiperidin-4-amine
現地名: 4-(ジメチルアミノ)ピペリジン
英語名: N,N-Dimethylpiperidin-4-amine
分子式: C7H16N2
分子量: 128.22

名称と別名

N,N-Dimethylpiperidin-4-amine50533-97-64-(dimethylamino)piperidineEINECS 256-617-2DTXSID50198542RefChem:822631DTXCID10121033256-617-24-Dimethylaminopiperidine4-Piperidinamine, N,N-dimethyl-4-dimethylamino piperidine4-dimethylamino-piperidine

名称をさらに表示

N,N-ジメチル-4-ピペリジンアミン4-(ジメチルアミノ)ピペリジンN,N-ジメチルピペリジン-4-アミン4-ジメチルアミノピペリジン4-(ジメチルアミノ)ピペリジン, 97%N-(4-ピペリジル)ジメチルアミン4-(N,N-ジメチルアミノ)ピペリジンN,N-ジメチル-N-(4-ピペリジニル)アミンEOS-60858AKOS BB-9178CHEMBRDG-BB 4018153N,N-Dimethylpiperidin-4-aminN,N''-DIMETHYLAMINOPIPERIDINE4-DIMETHYLAMINO-PIPERIDINE 98%

MFCD00023144N,N-dimethyl-4-piperidinamine4-(n,n-dimethylamino)piperidineDimethyl-piperidin-4-yl-amineN,N-dimethyl-N-(4-piperidinyl)amineN,N-dimethylpiperidine-4-amineDimethylpiperidin-4-ylamine1-dimethyl-4-piperidinamine

データベース識別子

CAS: 50533-97-6
PubChem CID: 417391
DTXSID: DTXSID50198542
ChEMBL: CHEMBL176900
ChEBI: CHEBI:231274
UNII: WS2J4P7D5R
EC Number: 256-617-2
Nikkaji: J259.959G

物性

構造計算による物性

XLogP: 0.4
極性表面積: 15.3 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: 1
重原子数: 9
形式電荷: 0
複雑度: 75

物理化学的性質

沸点: 187 °C · 187°C
比重(密度): 1.09 g/ml · 1.09g/ml
闪点: 187 °C · 187°C
屈折率: 1.476 · 1.4760
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: liquid
酸解離定数(Pka): 10.1 · 10.10±0.10(Predicted)
色: Clear, colourless
BRN: 1190 · 1190
InChI: InChI=1S/C7H16N2/c1-9(2)7-3-5-8-6-4-7/h7-8H,3-6H2,1-2H3
InChIKey: YFJAIURZMRJPDB-UHFFFAOYSA-N
SMILES: N1CCC(N(C)C)CC1
CAS データベース: 50533 · 50533-97-6(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (62.5%)

安全データ

wgk: WGK 3
ridadr: 2734
hs_code: 2933399990
risk_code: 10-34-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用4-(Dimethylamino)piperidine is having molecular features associated with polyamine modulation of N-methyl-D-aspartate receptors. It is utilized as a mechanism for reducing the effects of alcohol dependence.