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Pharmaceutical Intermediates
1-メチルキナゾリン-2,4(1H、3H)-ジオン
CAS:
604-50-2
MW:
176.17202
MF:
C9H8N2O2
 
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名前と識別子
MSDS情報
計算化学データ
実際の製品情報
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)-dione;1-Methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione;1-Methyl-2,4(1H,3H)-quinazolinedione;1-Methyl-5,6-[1,3]butadienopyrimidine-2,4(1H,3H)-dione;Glycosmicine;1-methyl-2,4(1H,3H)-quinazolinedione(SALTDATA: FREE);1-methylquinazoline-2,4-dione;1-methylquinazoline-2,4-quinone
View all
1.3 CAS No.
604-50-2
1.4 CID
11788
1.5 分子式
C9H8N2O2
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. 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
3. 合成路線
604-50-2
Total: 1 合成路線
86-96-4
97 しいれ業者
607-19-2
2 しいれ業者
604-50-2
3 しいれ業者
4. 前駆体と製品
上位製品:
86-96-4
5. 計算化学データ
Molecular Weight:
176.17202g/mol
Molecular Formula:
C
9
H
8
N
2
O
2
Compound Is Canonicalized:
True
XLogP3-AA:
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. Toltal 2 しいれ業者
詳細を表示
run-biotech Co., Ltd.
Tel:
Update Time:
2014/09/14
inquire
Antimex Chemical Limied
Tel:
Update Time:
2019/02/24
inquire
7. 実際の製品情報
7-METHYLQUINAZOLINE-2,4(1H,3H)-DIONE
cas:62484-15-5
8-methylquinazoline-2,4(1H,3H)-dione
cas:67449-23-4
3-METHYLQUINAZOLINE-2,4(1H,3H)-DIONE
cas:607-19-2
5-methylquinazoline-2,4(1H,3H)-dione
cas:52570-39-5
1-(2-Hydroxyethyl)-3-methylquinazoline-2,4(1H,3H)-dione
cas:113366-93-1
2-(chloromethyl)-4-methylquinazoline
cas:109113-72-6
1. 名前と識別子
1.1 商品名
1.2 同義語
1.3 CAS No.
1.4 分子式
1.5 Inchi
1.6 InchiKey
1.7 標準的な SMILES
1.8 異性体 SMILES
2.
MSDS情報
3.
合成路線
4.
前駆体と製品
5.
計算化学データ
6.
Toltal 2 しいれ業者
7.
実際の製品情報
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