4-メチル-1-ピペラジンプロパン-1-アミン

1-(3-Aminopropyl)-4-methylpiperazine

HCID 78328CAS 4572-03-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CN1CCN(CCCN)CC1
InChIKey: RGUABPVONIGVAT-UHFFFAOYSA-N
分子式: C8H19N3
平均分子量: 157.26 g/mol
単同位体質量: 157.15789761

名称と識別子

優先名称: 1-(3-Aminopropyl)-4-methylpiperazine
IUPAC: 3-(4-methylpiperazin-1-yl)propan-1-amine
現地名: 4-メチル-1-ピペラジンプロパン-1-アミン
英語名: 1-(3-Aminopropyl)-4-methylpiperazine
分子式: C8H19N3
分子量: 157.26

名称と別名

4572-03-61-(3-Aminopropyl)-4-methylpiperazine1-Piperazinepropanamine, 4-methyl-NSC 60215DTXSID0063527EINECS 224-954-4N-(.gamma.-Aminopropyl)-N'-methylpiperazineRefChem:74276DTXCID7040445N-(gamma-Aminopropyl)-N'-methylpiperazineRGUABPVONIGVAT-UHFFFAOYSA-N3-(4-methylpiperazin-1-yl)propan-1-amine

名称をさらに表示

3-(4-メチルピペラジノ)-1-プロパンアミン4-メチル-1-ピペラジンプロパン-1-アミン1-(3-アミノプロピル)-4-メチルピペラジン1-(3-アミノプロピル)-4-メチルピペラジン, 98%3-(4-メチルピペラジン-1-イル)プロパン-1-アミン4-Methyl-1-piperazinepropanamine 3HClAKOS BC-0592AKOS B024994RARECHEM AL BW 2461ART-CHEM-BB B024994TIMTEC-BB SBB0072891-(CYCLOPROPYLMETHYL)PIPERAZIN4-methyl-1-piperazinepropanamin

MFCD000146163-(4-Methyl-piperazin-1-yl)-propylamine3-(4-Methyl-1-piperazinyl)propylamineNSC602154-(3-Aminopropyl)-1-methylpiperazine3-(4-Methylpiperazin-1-yl)propylamine4-methyl-1-piperazinepropanamineN-Methyl-N'-(3-aminopropyl)piperazine

データベース識別子

CAS: 4572-03-6
PubChem CID: 78328
DTXSID: DTXSID0063527
ChEMBL: CHEMBL158701
EC Number: 224-954-4
Nikkaji: J297.827J

物性

構造計算による物性

XLogP: -0.8
極性表面積: 32.5 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: 3
重原子数: 11
形式電荷: 0
複雑度: 97.5

物理化学的性質

沸点: 113 · 113-114°C 13mm
比重(密度): 0 · 0,924 g/cm3
屈折率: 1.481 · 1.4810
闪点: 113 · 113-114°C/13mm
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 10.39 · 10.39±0.10(Predicted)
BRN: 105964 · 105964
InChI: InChI=1S/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3
InChIKey: RGUABPVONIGVAT-UHFFFAOYSA-N
SMILES: N1(CCCN)CCN(C)CC1
CAS データベース: 4572 · 4572-03-6(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Piperazinepropanamine, 4-methyl- (4572-03-6)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (85.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 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 CategoriesSkin Corr. 1B (85.7%)

安全データ

tsca: TSCA listed
ridadr: 2735
hs_code: 29335990
risk_code: 34
hazard_code: Xi
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III

化学と産業

用途と製造

General Manufacturing Information1-Piperazinepropanamine, 4-methyl-: ACTIVE

応用分野

使用1-(3-Aminopropyl)-4-methylpiperazine is used as a precursor in organic synthesis for the preparation of furan-2-carboxylic acid [3-(4-methyl-piperazin-1-yl)-propyl]-amide by reacting with furan-2-carbonyl chloride.