基本情報
- CAS
2434-53-9- 標準SMILES
Cn1c(N)cc(=O)[nH]c1=O- InChIKey
GZLZRPNUDBIQBM-UHFFFAOYSA-N- 分子式
- C5H7N3O2
- 平均分子量
- 141.13 g/mol
- 単同位体質量
- 141.05382648
名称と識別子
- 優先名称
- 6-Amino-1-methyluracil
- IUPAC
- 6-amino-1-methylpyrimidine-2,4-dione
- 現地名
- 6-アミノ-1-メチルピリミジン-2,4(1H,3H)-ジオン
- 英語名
- 6-Amino-1-methyluracil
- 分子式
- C5H7N3O2
- 分子量
- 141.13
名称と別名
6-Amino-1-methyluracil2434-53-9EINECS 219-422-3DTXSID30179076NSC 7369RefChem:540098DTXCID60101567219-422-36-amino-1-methylpyrimidine-2,4(1H,3H)-dione6-amino-1-methylpyrimidine-2,4-dioneMFCD000753666-amino-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
名称をさらに表示
6-アミノ-1-メチルピリミジン-2,4(1H,3H)-ジオン1-メチル-6-アミノウラシル6-アミノ-1-メチル-2,4(1H,3H)-ピリミジンジオン1-メチル-6-アミノ-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン1-メチル-6-アミノピリミジン-2,4(1H,3H)-ジオン6-アミノ-1-メチルウラシル6-アミノ-1-メチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオンLinaint-BCompound 1530-0259Valine Impurity 166-AMINO-1-METHYLURACILABOTEST-BB LT000806474-AMINO-3-METHYLURACILLigagliptin Impurity 66
2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-1-methyl-6-Aminouracil6-amino-1-methyl-1,3-dihydropyrimidine-2,4-dioneNSC73696-Amino-1-methyl-2,4-pyrimidinedione; 1-Methyl-6-aminouracil; 6-Amino-1-methyl-1H-pyrimidine-2,4-dione; 6-Amino-1-methyluracil; NSC 7369;6-amino-1-methyl-pyrimidine-2,4-dione6-Amino-1-methyl-1H-pyrimidine-2,4-dione6-Amino-1-methyluridine
データベース識別子
- CAS
2434-53-9- PubChem CID
- 75520
- DTXSID
DTXSID30179076- ChEMBL
CHEMBL89725- EC Number
- 219-422-3
- Nikkaji
- J216.075G
物性
構造計算による物性
- XLogP
- -1.3
- 極性表面積
- 75.4 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 221
物理化学的性質
- 融点
- 300 °C · 300 °C
- 比重(密度)
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- 希水酸化ナトリウム溶液に可溶。
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 9.26 · 9.26±0.40(Predicted)
- 色
- White to Almost white
- BRN
- 127771 · 127771
- InChI
- InChI=1S/C5H7N3O2/c1-8-3(6)2-4(9)7-5(8)10/h2H,6H2,1H3,(H,7,9,10)
- InChIKey
- GZLZRPNUDBIQBM-UHFFFAOYSA-N
- SMILES
- C1(=O)N(C)C(N)=CC(=O)N1
- CAS データベース
- 2434 · 2434-53-9(CAS DataBase Reference)
化学的性質
化学的特性almost white to slightly beige crystalline powder
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and CategoriesAcute Tox. 4 (87%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)
安全データ
- wgk
- 3
- hs_code
- 29335990
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
使用6-Amino-1-methyluracil is known to exert inhibitory effects towards DNA repair glycosylase. It is also known to be used as a flame retardant.
一般的な説明6-Amino-1-methyluracil is an amino derivative of uracil and its standard molar enthalpy of combustion has been evaluated. Host-guest complexation of 6-amino-1-methyluracil with tetrapropoxycalix[4]arene has been reported.
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
関連反応
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化合物ノート
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