5-Aminouracil (HCID 13611)

名称と識別子

優先名称: 5-Aminouracil
IUPAC: 5-amino-1H-pyrimidine-2,4-dione
現地名: 5-アミノウラシル
英語名: 5-Aminouracil
分子式: C4H5N3O2
分子量: 127.1

名称と別名

5-Aminouracil932-52-55-Amino-2,4-dihydroxypyrimidineURACIL, 5-AMINO-2,4(1H,3H)-Pyrimidinedione, 5-amino-2,4-Dihydroxy-5-aminopyrimidineR2O7EKY9G9NSC-224745-amino-1,2,3,4-tetrahydropyrimidine-2,4-dioneDTXSID1061312RefChem:102016DTXCID9048859

名称をさらに表示

5-アミノウラシル5-アミノ-2,4(1H,3H)-ピリミジンジオン5-アミノ-2,4-ピリミジンジオール5-アミノピリミジン-2,4(1H,3H)-ジオン5‐アミノウラシル5-アミノウラシル, 97%5-aminuracil5-amino-uraci5-AMINOURACYL5-Aminouracil,97%5-Aminouracil >5-Aminouracil ,98%

213-252-35-aminopyrimidine-2,4(1H,3H)-dione5-AMINO-1H-PYRIMIDINE-2,4-DIONE5-Amino-2,4-pyrimidinediolMFCD000060255-Amino-2,4(1H,3H)-pyrimidinedione5-aminopyrimidine-2,4-diol5-amino uracil

データベース識別子

CAS: 932-52-5
PubChem CID: 13611
DTXSID: DTXSID1061312
ChEMBL: CHEMBL1236704
UNII: R2O7EKY9G9
EC Number: 213-252-3
Nikkaji: J553C

物性

構造計算による物性

XLogP: -1.5
極性表面積: 84.2 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 196

物理化学的性質

融点: 300 °C · >300 °C (lit.)
沸点: 235.85 °C · 235.85°C (rough estimate)
比重(密度): 1.4748 · 1.4748 (rough estimate)
屈折率: 1.5 · 1.5000 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 微粉
酸解離定数(Pka): 9.19 · 9.19±0.10(Predicted)
色: ベージュからブラウン
水溶解度: 0.5 g/L · 0.5g/L(20℃)
BRN: 127250 · 127250
InChI: InChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)
InChIKey: BISHACNKZIBDFM-UHFFFAOYSA-N
SMILES: C1(=O)NC=C(N)C(=O)N1
CAS データベース: 932 · 932-52-5(CAS DataBase Reference)
NISTの化学物質情報: 5 · 5-Aminouracil(932-52-5)
EPAの化学物質情報: 5 · 5-Aminouracil (932-52-5)

化学的性質

化学的特性beige to brown fine powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 73 reports by companies from 2 notifications to the ECHA C&L Inventory.；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 Information2,4(1H,3H)-Pyrimidinedione, 5-amino-: 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 CategoriesAcute Tox. 4 (100%)

法規制情報

Regulatory Information2,4(1H,3H)-Pyrimidinedione, 5-amino-: 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.