5,6,12,13-テトラヒドロキノ[2,3-b]アクリジン-7,14-ジオン

Quino(2,3-b)acridine-7,14-dione, 5,6,12,13-tetrahydro-

HCID 79973CAS 5862-38-4

部分構造検索類似構造を探す

基本情報

標準SMILES: O=c1c2c([nH]c3ccccc13)Cc1c([nH]c3ccccc3c1=O)C2
InChIKey: SNDAOXYSCAWUFQ-UHFFFAOYSA-N
分子式: C20H14N2O2
平均分子量: 314.3 g/mol
単同位体質量: 314.10552769

名称と識別子

優先名称: Quino(2,3-b)acridine-7,14-dione, 5,6,12,13-tetrahydro-
IUPAC: 5,6,12,13-tetrahydroquinolino[2,3-b]acridine-7,14-dione
現地名: 5,6,12,13-テトラヒドロキノ[2,3-b]アクリジン-7,14-ジオン
英語名: 5,6,12,13-tetrahydroquino[2,3-b]acridine-7,14-dione
分子式: C20H14N2O2
分子量: 314.33736

名称と別名

6,13-DihydroquinacridoneQuino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro-5862-38-4EINECS 227-508-75,6,12,13-tetrahydroquino[2,3-b]acridine-7,14-dioneDTXSID4027606Quino(2,3-b)acridine-7,14-dione, 5,6,12,13-tetrahydro-5,6,12,13-Tetrahydroquino(2,3-b)acridine-7,14-dioneRefChem:871951DTXCID307606Quino2,3-bacridine-7,14-dione, 5,6,12,13-tetrahydro-227-508-7

名称をさらに表示

5,6,12,13-テトラヒドロキノ[2,3-b]アクリジン-7,14-ジオン6,13-ジヒドロキナクリドン5,6,7,12,13,14-ヘキサヒドロ-5,12-ジアザペンタセン-7,14-ジオン

5,6,12,13-tetrahydroquinolino[2,3-b]acridine-7,14-dione6,13dihydroquinacridone6,13-dihydro-quinacridoneSCHEMBL2630572SCHEMBL29378703SCHEMBL30583743DB-263371NS00020528

データベース識別子

CAS: 5862-38-4
PubChem CID: 79973
DTXSID: DTXSID4027606
EC Number: 227-508-7
Nikkaji: J29.758E

物性

構造計算による物性

XLogP: 3.2
極性表面積: 58.2 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 24
形式電荷: 0
複雑度: 617

実験および物理化学的性質

Physical DescriptionOther Solid

物理化学的性質

沸点: 554 · 554.0±50.0 °C(Predicted)
比重(密度): 1.43 · 1.43±0.1 g/cm3(Predicted)
酸解離定数(Pka): -1.43 · -1.43±0.20(Predicted)
EPAの化学物質情報: 2 · Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro- (5862-38-4)

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 104 of 104 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 104 of 104 reports by companies.；There are 0 notifications provided by 0 of 104 reports by companies with hazard statement code(s).；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 Information · 3 件

Chemical: Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro-

Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Quino2,3-bacridine-7,14-dione, 5,6,12,13-tetrahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified