6-(4-メチル-1-ピペラジニル)-3-ピリジンアミン

6-(4-Methylpiperazin-1-yl)pyridin-3-amine

HCID 2763390

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 55403-35-5
標準SMILES: CN1CCN(c2ccc(N)cn2)CC1
InChIKey: NZTCEWZBMOTKCJ-UHFFFAOYSA-N
分子式: C10H16N4
平均分子量: 192.26 g/mol
単同位体質量: 192.13749651

名称と識別子

優先名称: 6-(4-Methylpiperazin-1-yl)pyridin-3-amine
IUPAC: 6-(4-methylpiperazin-1-yl)pyridin-3-amine
現地名: 6-(4-メチル-1-ピペラジニル)-3-ピリジンアミン
英語名: 3-Amino-6-(4-methylpiperazin-1-yl)pyridine
分子式: C10H16N4
分子量: 192.26

名称と別名

55403-35-56-(4-methylpiperazin-1-yl)pyridin-3-amineDTXSID80376932RefChem:104044DTXCID40327960819-101-33-Amino-6-(4-methylpiperazin-1-yl)pyridine6-(4-methylpiperazino)-3-pyridinamine6-(4-methyl-piperazin-1-yl)-pyridin-3-ylamineMFCD034257196-(4-methyl-1-piperazinyl)-3-pyridinamine1-(5-Aminopyridin-2-yl)-4-methylpiperazine

名称をさらに表示

6-(4-メチル-1-ピペラジニル)-3-ピリジンアミン6-(4-メチルピペラジノ)-3-ピリジンアミン6-(4-Methyl-1-piperazinyl)-3-pyridinaMine 4HCl3-Amino-6-(4-methylpiperazin-1-yl)pyridine Hydrochloride6-(4-methyl-1-piperazinyl)-3-pyridinamine(SALTDATA: FREE)6-(4-methylpiperazin-1-yl)pyridin-3-amine tetrahydrochloride

3-Amino-6-(4-methyl-1-piperazinyl)pyridine6-(4-Methyl-piperazin-1-yl)pyridin-3-ylamine3-PYRIDINAMINE, 6-(4-METHYL-1-PIPERAZINYL)-6-(4-methylpiperazinyl)-3-pyridylamine5-Amino-2-(4-methylpiperazin-1-yl)pyridineFT-0680023A8NWQ3KXY9SCHEMBL55623

データベース識別子

CAS: 55403-35-5
PubChem CID: 2763390
DTXSID: DTXSID80376932
UNII: A8NWQ3KXY9
EC Number: 819-101-3
Nikkaji: J3.018.774A

物性

構造計算による物性

XLogP: 0.4
極性表面積: 45.4 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 177

物理化学的性質

融点: 106 · 106-108°
沸点: 388.7 · 388.7±42.0 °C(Predicted)
比重(密度): 1.142 · 1.142±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
酸解離定数(Pka): 9.35 · 9.35±0.29(Predicted)
InChI: InChI=1S/C10H16N4/c1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10/h2-3,8H,4-7,11H2,1H3
InChIKey: NZTCEWZBMOTKCJ-UHFFFAOYSA-N
SMILES: C1=NC(N2CCN(C)CC2)=CC=C1N

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.