1-(3-ジメチルアミノプロピル)ピペラジン

1-[3-(Dimethylamino)propyl]piperazine

HCID 2736234CAS 877-96-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CN(C)CCCN1CCNCC1
InChIKey: YJRGRZJKGMBHIB-UHFFFAOYSA-N
分子式: C9H21N3
平均分子量: 171.28 g/mol
単同位体質量: 171.17354767

名称と識別子

優先名称: 1-[3-(Dimethylamino)propyl]piperazine
IUPAC: N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
現地名: 1-(3-ジメチルアミノプロピル)ピペラジン
英語名: 1-[3-(Dimethylamino)propyl]piperazine
分子式: C9H21N3
分子量: 171.28

名称と別名

1-[3-(Dimethylamino)propyl]piperazine1-(3-(Dimethylamino)propyl)piperazineN,N-Dimethyl-1-piperazinepropanamineRefChem:423149627-165-7877-96-31-(3-dimethylaminopropyl)piperazineN,N-Dimethyl-3-(piperazin-1-yl)propan-1-amineN,N-dimethyl-3-piperazin-1-ylpropan-1-amineMFCD00082601dimethyl[3-(piperazin-1-yl)propyl]amine1-[3-(dimethylamino)-propyl]-piperazine

名称をさらに表示

1-(3-ジメチルアミノプロピル)ピペラジン1-[3-(ジメチルアミノ)プロピル]ピペラジンRARECHEM AH CK 00901-(3-dimethylpropyl)piperazine1-[3-(Dimethylamino)-propyl]-piperN,N-DIMETHYL-3-PIPERAZINOPROPYLAMINE1-Piperazinepropanamine, N,N-dimethyl-1-(3-Dimethylaminopropyl)piperazine 97%1-(3-Dimethylaminopropyl)piperazine,97%1-[3-(Dimethylamino)prop-1-yl]piperazine

1-(3-Dimethylaminopropyl)-piperazine3-Dimethylaminopropylpiperazine1-[3-(Dimethylamino)propyl]piperazine, >=98.0% (GC)N,N-dimethyl-3-piperazin-1-yl-propan-1-amineN,N-dimethyl-N-[3-(1-piperazinyl)propyl]amineSCHEMBL165923SCHEMBL666678SCHEMBL7255951

データベース識別子

CAS: 877-96-3
PubChem CID: 2736234
DTXSID: DTXSID60371223
EC Number: 627-165-7

物性

構造計算による物性

XLogP: 0
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: 4
重原子数: 12
形式電荷: 0
複雑度: 108

物理化学的性質

沸点: 77 °C · 77 °C
比重(密度): 0.91 g/ml · 0.91g/ml
屈折率: 20 · n20/D 1.478
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 9.67 · 9.67±0.28(Predicted)
外見: liquid
色: Pale yellow
BRN: 506940 · 506940
InChI: 1S/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3
InChIKey: YJRGRZJKGMBHIB-UHFFFAOYSA-N
SMILES: CN(C)CCCN1CCNCC1
CAS データベース: 877 · 877-96-3(CAS DataBase Reference)

化学的性質

化学的特性Clear light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (90.9%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.