4-(4-Methylpiperazin-1-yl)butan-1-amine

HCID 6484192CAS 4553-32-6

基本情報

標準SMILES: CN1CCN(CCCCN)CC1
InChIKey: NXKRSMDVDRFSBV-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: 4-(4-Methylpiperazin-1-yl)butan-1-amine
IUPAC: 4-(4-methylpiperazin-1-yl)butan-1-amine
英語名: 1-Piperazinebutanamine,4-methyl-(9CI)
分子式: C9H21N3
分子量: 171.28

名称と別名

4-(4-methylpiperazin-1-yl)butan-1-amineRefChem:514434815-375-34553-32-64-(4-Methyl-piperazin-1-yl)-butylamineMFCD064468861-Piperazinebutanamine,4-methyl-(9CI)1-(4-Amino-1-butyl)-4-methyl-piperazine4-(4-methylpiperazinyl)butylamine1-Piperazinebutanamine,4-methyl-4-Methyl-1-piperazinebutanamineSCHEMBL856408

名称をさらに表示

1-(4-Amino-1-butyl)-4-methyl-piper1-(4-Amino-1-butyl)-4-methyl-piperazine, 98%

SCHEMBL4398831DTXSID30424412NXKRSMDVDRFSBV-UHFFFAOYSA-N1-Piperazinebutanamine, 4-methyl-SBB0105291-(4-aminobutyl)-4-methylpiperazine4-(4-methylpiperazin-1-yl)butanamineAKOS000152446

データベース識別子

CAS: 4553-32-6
PubChem CID: 6484192
DTXSID: DTXSID30424412
EC Number: 815-375-3

物性

構造計算による物性

XLogP: -0.2
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: 4
重原子数: 12
形式電荷: 0
複雑度: 108

物理化学的性質

沸点: 130 °C · 130 °C(Press: 18 Torr)
比重(密度): 0.936 · 0.936±0.06 g/cm3(Predicted)
酸解離定数(Pka): 10.56 · 10.56±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.