1-アミノ-4-メチルピペラジン二塩酸塩一水和物

4-Methylpiperazin-1-ylamine dihydrochloride hydrate

HCID 198221

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 40675-60-3
標準SMILES: CN1CCN(N)CC1.Cl.Cl
InChIKey: MIQKQAFRWSMHEI-UHFFFAOYSA-N
分子式: C5H15Cl2N3
平均分子量: 188.1 g/mol
単同位体質量: 187.0643029

名称と識別子

優先名称: 4-Methylpiperazin-1-ylamine dihydrochloride hydrate
IUPAC: 4-methylpiperazin-1-amine;dihydrochloride
現地名: 1-アミノ-4-メチルピペラジン二塩酸塩一水和物
英語名: 1-Amino-4-methylpiperazine dihydrochloride monohydrate
分子式: C5H14ClN3
分子量: 151.64

名称と別名

4-Methylpiperazin-1-ylamine dihydrochloride hydrateRefChem:525679255-031-440675-60-34-methylpiperazin-1-amine dihydrochloridePiperazine, 1-amino-4-methyl-, dihydrochloride1-Amino-4-methylpiperazine dihydrochloride4-methylpiperazin-1-amine;dihydrochloride1-Amino-4-methylpiperazine dihydrochloride monohydrateEINECS 255-031-41-Piperazinamine, 4-methyl-, dihydrochlorideorb3029896

名称をさらに表示

1-アミノ-4-メチルピペラジン二塩酸塩一水和物1-アミノ-4-メチルピペラジン二塩酸塩一水和物4-メチル-1-ピペラジンアミン・2塩酸塩4-methyl-1-piperazinamindihydrochloride1-amino-4-methylpiperazinedihydrochloride1-amino-4-methyl-piperazindihydrochloridehydron:4-methylpiperazin-1-amine:dichloride4-METHYLPIPERAZINOAMINE DIHYDROCHLORIDE MONOHYDRATE1-AMINO-4-METHYLPIPERAZINE DIHYDROCHLORIDE, 1-HYDRATE1-Amino-4-methylpiperazine monohydrate dihydrochloride

SCHEMBL1700097DTXSID40193662Fr16602SBB090689MS-222061-methyl-4-aminopiperazine dihydrochlorideDB-2593724-methylpiperazinylamine, chloride, chloride

データベース識別子

CAS: 40675-60-3
PubChem CID: 198221
DTXSID: DTXSID40193662
EC Number: 255-031-4

物性

構造計算による物性

極性表面積: 32.5 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 66

物理化学的性質

融点: 230 °C · 230 °C (dec.)(lit.)
外見: crystals
InChI: 1S/C5H13N3.2ClH.H2O/c1-7-2-4-8(6)5-3-7;;;/h2-6H2,1H3;2*1H;1H2
InChIKey: UPJWXQREHFVMHA-UHFFFAOYSA-N
SMILES: O.Cl.Cl.CN1CCN(N)CC1

化学的性質

化学的特性WHITE FINE CRYSTALLINE POWDER

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
rtecs: TK8062000
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids