HCID68156

2-Imidazoline

4,5-dihydro-1H-imidazole

C3H6N270.09 g/molCAS 28299-33-4

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IDENTITY

结构与身份

标准SMILES: C1=NCCN1
InChIKey: MTNDZQHUAFNZQY-UHFFFAOYSA-N
分子式: C3H6N2
平均分子量: 70.09 g/mol
单同位素质量: 70.0530982

COMPUTED

结构计算性质

已同步

XLogP: -0.8
极性表面积: 24.4 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 5
形式电荷: 0
复杂度: 48

GHS

GHS分类

来源：PubChem

GHS Classification

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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Repr. 2 (100%)

USES

用途与制造

来源：PubChem

General Manufacturing Information

1H-Imidazole, 4,5-dihydro-: ACTIVE

ALIASES

名称与别名

共 38 条

4,5-Dihydro-1H-imidazoleimidazoline2-Imidazoline504-75-61H-Imidazole, 4,5-dihydro-D36R5YLK6RCORBAN 210WSDTXSID2060127CHEBI:53094RefChem:473552DTXCID5040835DTXSID10894831207-999-428299-33-41H-Imidazole, dihydro-UNII-D36R5YLK6REINECS 207-999-44,5-dihydroimidazoleSCHEMBL2438SCHEMBL3144

REACTIONS

参与反应

16 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07425557B2

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uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05840664

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uspto-grants-1978_02 · 10.6084/m9.figshare.5104873.v1 · US04073783

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-2003_09 · 10.6084/m9.figshare.5104873.v1 · US06620546B1

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uspto-grants-1976_04 · 10.6084/m9.figshare.5104873.v1 · US03951952

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uspto-grants-1990_05 · 10.6084/m9.figshare.5104873.v1 · US04927942

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uspto-grants-1990_05 · 10.6084/m9.figshare.5104873.v1 · US04927942

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