2-メトキシ-4-(4-メチルピペラジン-1-イル)アニリン

2-Methoxy-4-(4-methylpiperazin-1-yl)aniline

HCID 20136253

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 122833-04-9
標準SMILES: COc1cc(N2CCN(C)CC2)ccc1N
InChIKey: LUYPGLRYFIVYTH-UHFFFAOYSA-N
分子式: C12H19N3O
平均分子量: 221.3 g/mol
単同位体質量: 221.15281224

名称と識別子

優先名称: 2-Methoxy-4-(4-methylpiperazin-1-yl)aniline
IUPAC: 2-methoxy-4-(4-methylpiperazin-1-yl)aniline
現地名: 2-メトキシ-4-(4-メチルピペラジン-1-イル)アニリン
英語名: 1-(4-AMINO-3-METHOXYPHENYL)-4-METHYLPIPERAZINE
分子式: C12H19N3O
分子量: 221.3

名称と別名

2-Methoxy-4-(4-methylpiperazin-1-yl)aniline122833-04-9DTXSID90602870RefChem:262556DTXCID00553627887-568-0Benzenamine, 2-methoxy-4-(4-methyl-1-piperazinyl)-MFCD118489541-(4-AMINO-3-METHOXYPHENYL)-4-METHYLPIPERAZINE2-Methoxy-4-(4-methyl-1-piperazinyl)anilineSCHEMBL438444BENZENAMINE, 2-METHOXY-4-(4-METHYL-1-PIPERAZINYL)

名称をさらに表示

2-メトキシ-4-(4-メチルピペラジン-1-イル)アニリン2-Methoxy-4-(4-methyl-piperazin-1-yl)-phenylamine2-Methoxy-4-(4-methylpiperazin-1-yl)2-methoxy-4-(4-methylazine-1-yl)benzeneamine2-Methoxy-4-(4-methylpiperazin-1-yl)benzenamine2-Methoxy-4-(4-methyl-1-piperazinyl)benzenamineMorphinan-3,14-diol,4,5-epoxy-6-(3,6,9,12,15,18,21-heptaoxadocos-1-yloxy)-17-(2-propen-1-yl)-,(5α,6α)-,ethanedioate(1:4)(salt)

LUYPGLRYFIVYTH-SCHEMBL29446146LUYPGLRYFIVYTH-UHFFFAOYSA-NCS-M2488SC5116AKOS012981420NCGC00386579-01AC-27545

データベース識別子

CAS: 122833-04-9
PubChem CID: 20136253
DTXSID: DTXSID90602870
EC Number: 887-568-0

物性

構造計算による物性

XLogP: 1.1
極性表面積: 41.7 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: 2
重原子数: 16
形式電荷: 0
複雑度: 216

物理化学的性質

融点: 73 · 73-74°
沸点: 392 ℃ · 392℃
比重(密度): 1.111 · 1.111
闪点: 191 ℃ · 191℃
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 7.78 · 7.78±0.42(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.