ホモピペラジン

Hexahydro-1,4-diazepine

HCID 68163CAS 505-66-8
部分構造検索類似構造を探す

基本情報

標準SMILES
C1CNCCNC1
InChIKey
FQUYSHZXSKYCSY-UHFFFAOYSA-N
分子式
C5H12N2
平均分子量
100.16 g/mol
単同位体質量
100.10004839

名称と識別子

優先名称
Hexahydro-1,4-diazepine
IUPAC
1,4-diazepane
現地名
ホモピペラジン
英語名
Homopiperazine
分子式
C5H12N2
分子量
100.16

名称と別名

Homopiperazine505-66-81,4-Diazacycloheptane1H-1,4-Diazepine, hexahydro-Hexahydro-1,4-diazepineTrimethyleneethylenediaminePerhydro-1,4-diazepinehexahydro-1H-1,4-diazepineBRN 0102711EINECS 208-016-195CL167W8TDTXSID1060130
名称をさらに表示
ホモピペラジン2,3,4,5,6,7-ヘキサヒドロ-1H-1,4-ジアゼピン3,7-ジアザシクロヘプタンヘキサヒドロ-1H-1,4-ジアゼピン1,4-ジアザシクロヘプタン1,4-ペルヒドロジアゼピン1,4-ジアゼパンHPRZGao PaiqinhoMopiperazateHigh-piperazineHomo-PiperazinesAKOS BBS-000042781,4-Diazepane 97%
5-23-03-00240 (Beilstein Handbook Reference)RefChem:786109DTXCID4040848208-016-1InChI=1/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H1,4-Diazepane[1,4]DiazepaneMFCD00006933

データベース識別子

CAS
505-66-8
PubChem CID
68163
DTXSID
DTXSID1060130
UNII
95CL167W8T
EC Number
208-016-1
Nikkaji
J53.916C

物性

構造計算による物性

XLogP
-0.5
極性表面積
24.1 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
0
重原子数
7

実験および物理化学的性質

Kovats Retention Index1525

物理化学的性質

融点
38 · 38-40 °C (lit.)
沸点
169 °C · 169 °C (lit.)
比重(密度)
0.95 · 0.95
屈折率
1.4378 · 1.4378 (estimate)
闪点
148 °F · 148 °F
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature

化学的性質

化学的特性white to light yellow crystalline mass

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H311 (95.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (66.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P262, P264, P264+P265, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 157 reports by companies from 7 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

Regulatory Information1,4-Diazacycloheptane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (95.5%)；Skin Corr. 1B (100%)；Eye Dam. 1 (66.9%)

法規制情報

Regulatory Information1,4-Diazacycloheptane: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F
3-10-23
wgk
1
tsca
TSCA listed
rtecs
HM3850000
ridadr
UN 3259 8/PG 2
hs_code
29339900

化学と産業

用途と製造

General Manufacturing Information1H-1,4-Diazepine, hexahydro-: ACTIVE
応用分野 · 2 件

用途有機合成原料。

使用Homopiperazine is used to prepare 1,4-bis-(2-thiazolyl)-1,4-diazacycloheptane by reacting with 2-bromo-thiazole. It acts as an intermediate for repaglinide and fasudil hydrochloride. It is also used in the preparation of potent H3 receptor antagonists, which is used for the treatment of neurodegenerative conditions. Further, it is used in vesicant, cosmetic, emulsifier and energetic material. It acts as a corrosion inhibitor for iron. In pharmaceuticals, it is employed as antipyretic and reducing blood sugar, adiposity, calm, antipsychotic and anti-nervous.

上流・下流製品情報

上流原料

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
烟台宇晨生物医药有限公司0535-7295056 15692356085 · [email protected]
合肥瑞洛新材料科技有限公司19567218739 · [email protected]

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