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1-メチルキナゾリン-2,4（1H、3H）-ジオン分子構造

1-メチルキナゾリン-2,4（1H、3H）-ジオン分子構造

1-メチルキナゾリン-2,4（1H、3H）-ジオン

: IUPAC名称：1-methylquinazoline-2,4-dione; CAS登録番号: 604-50-2; 分子量：176.18

見積りを送ります

1. 名前と識別子

: 1.1 商品名; 1-メチルキナゾリン-2,4（1H、3H）-ジオン; 1.2 同義語; 1-methylquinazoline-2,4(1H,3H)-dione1-Methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione1-Methyl-2,4(1H,3H)-quinazolinedione1-Methyl-5,6-[1,3]butadienopyrimidine-2,4(1H,3H)-dioneGlycosmicine1-methyl-2,4(1H,3H)-quinazolinedione(SALTDATA: FREE)1-methylquinazoline-2,4-dione1-methylquinazoline-2,4-quinone; すべてを表示

1.3 CAS登録番号: 604-50-2

1.4 CID: 11788

1.5 分子式: C9H8N2O2 (isomer)

1.6 Inchi: InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(12)10-9(11)13/h2-5H,1H3,(H,10,12,13)

1.7 InchiKey: RWFOOMQYIRITHL-UHFFFAOYSA-N

1.8 標準的な SMILES: CN1C2=CC=CC=C2C(=O)NC1=O

1.9 異性体 SMILES: CN1C2=CC=CC=C2C(=O)NC1=O

2. 性質

2.1 密度: 1.292

2.2 融点: 237.5 °C

2.3 屈折率: 1.585

2.4 PSA: 54.86000

2.5 logP: 0.70 (Predicted)

3. MSDS情報

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

すべてを表示

4. 合成路線

604-50-2Total: 1 合成路線

86-96-4

86-96-4 97 しいれ業者

plus

607-19-2

607-19-2 2 しいれ業者

reaction

604-50-2

604-50-2 3 しいれ業者

文献:
Ashirmatov; Urakov; Shakhidoyatov Chemistry of Heterocyclic Compounds, 1996 , vol. 32, # 6 p. 708 - 711
産出: ~15%

5. 計算化学データ

分子: 176.17202g/mol
分子式: C₉H₈N₂O₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 176.058577502
Monoisotopic Mass: 176.058577502
Complexity: 252
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 49.4
Heavy Atom Count: 13
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHgAQAAAADAiBmAQzwIPAAACIAiVSUACCAAAlAgAIiAEIZMiIIDrA1ZGEIYhohyJIyecYiACOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

6. 推奨ベンダー

Global2しいれ業者すべてを表示 >>

run-biotech Co., Ltd. Audited Suppliers

Audited Suppliers

Products:Pharmaceutical Discovery
Tel:86-21-61900721

1-Methyl-2,4(1H,3H)-quinazolinedione

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2014/09/14

Inquire

Antimex Chemical Limied

Tel:0086-21-50563169

2,4(1H,3H)-Quinazolinedione,1-methyl-

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/24

Inquire

7. 実際の製品情報

7-METHYLQUINAZOLINE-2,4(1H,3H)-DIONE

62484-15-5 7-METHYLQUINAZOLINE-2,4(1H,3H)-DIONE

8-methylquinazoline-2,4(1H,3H)-dione

67449-23-4 8-methylquinazoline-2,4(1H,3H)-dione

3-METHYLQUINAZOLINE-2,4(1H,3H)-DIONE

607-19-2 3-METHYLQUINAZOLINE-2,4(1H,3H)-DIONE

5-methylquinazoline-2,4(1H,3H)-dione

52570-39-5 5-methylquinazoline-2,4(1H,3H)-dione

1-(2-Hydroxyethyl)-3-methylquinazoline-2,4(1H,3H)-dione

113366-93-1 1-(2-Hydroxyethyl)-3-methylquinazoline-2,4(1H,3H)-dione

2-(chloromethyl)-4-methylquinazoline

109113-72-6 2-(chloromethyl)-4-methylquinazoline

4-HYDROXY-6-METHYLQUINAZOLINE

19181-53-4 4-HYDROXY-6-METHYLQUINAZOLINE

最近の更新 : 2747918-45-0 2637370-86-4 1566326-43-9 1566722-26-6 1565025-23-1 1564889-53-7 1566621-11-1 1566247-71-9 1566157-97-8 1566246-39-6

ディレクトリ

1. 名前と識別子

: 1.1 商品名; 1.2 同義語; 1.3 CAS登録番号; 1.4 CID; 1.5 分子式; 1.6 Inchi; 1.7 InchiKey; 1.8 標準的な SMILES; 1.9 異性体 SMILES

2. 性質

: 2.1 密度; 2.2 融点; 2.3 屈折率; 2.4 PSA; 2.5 logP

4.計算化学データ

5.推奨ベンダー