2-イミダゾリン

2-Imidazoline

HCID 68156CAS 28299-33-4

部分構造検索類似構造を探す

基本情報

標準SMILES: C1=NCCN1
InChIKey: MTNDZQHUAFNZQY-UHFFFAOYSA-N
分子式: C3H6N2
平均分子量: 70.09 g/mol
単同位体質量: 70.0530982

名称と識別子

優先名称: 2-Imidazoline
IUPAC: 4,5-dihydro-1H-imidazole
現地名: 2-イミダゾリン
英語名: 4,5-dihydro-1H-imidazole
分子式: C3H6N2
分子量: 70.09

名称と別名

4,5-Dihydro-1H-imidazoleimidazoline2-Imidazoline504-75-61H-Imidazole, 4,5-dihydro-D36R5YLK6RCORBAN 210WSDTXSID2060127CHEBI:53094RefChem:473552DTXCID5040835DTXSID10894831

名称をさらに表示

2-イミダゾリン4,5-ジヒドロ-1H-イミダゾール2-イミダンゾリン

207-999-428299-33-41H-Imidazole, dihydro-UNII-D36R5YLK6REINECS 207-999-44,5-dihydroimidazoleSCHEMBL2438SCHEMBL3144

データベース識別子

CAS: 28299-33-4、504-75-6
PubChem CID: 68156
DTXSID: DTXSID2060127
ChEBI: CHEBI:53094
UNII: D36R5YLK6R
EC Number: 207-999-4
Nikkaji: J182.256J

物性

構造計算による物性

XLogP: -0.8
極性表面積: 24.4 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 5
形式電荷: 0
複雑度: 48

物理化学的性質

融点: 55 °C · 55°C
沸点: 111.55 °C · 111.55°C (rough estimate)
比重(密度): 0.8304 · 0.8304 (rough estimate)
屈折率: 1.4796 · 1.4796 (estimate)
酸解離定数(Pka): 10.9 · 10.90±0.40(Predicted)
EPAの化学物質情報: 1 H-Imidazole, · 1H-Imidazole, 4,5-dihydro- (504-75-6)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；Repr. 2 (100%)

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing Information1H-Imidazole, 4,5-dihydro-: ACTIVE

応用分野 · 1 件

使用4,5-Dihydro-1H-imidazole possesses inhibition effect on the crevice corrosion of N80 carbon steel; Also, it is derived from Formamide (F691480), which is a compound that is used in biochemistry to prevent RNA samples from degradation due to RNAses. Formamide is also used as a plasticizer to prepare thermoplastic starch (TPS), a special type of starch that can be mixed with other synthetic polymers because of its unique ability to “flow”.