CAS 873-83-6 6-Aminouracil (HCID 70120)

名称と識別子

優先名称: 6-Aminouracil
IUPAC: 6-amino-1H-pyrimidine-2,4-dione
現地名: 6-アミノウラシル (4-)
英語名: 6-Aminouracil
分子式: C4H5N3O2
分子量: 127.1

名称と別名

6-Aminouracil873-83-62,4(1H,3H)-Pyrimidinedione, 6-amino-DTXSID5061241RefChem:540391DTXCID7048580212-854-34-Amino-2,6-dihydroxypyrimidine6-aminopyrimidine-2,4(1H,3H)-dione6-aminopyrimidine-2,4-diol6-Amino-1H-pyrimidine-2,4-dione6-Amino-2,4-pyrimidinediol

名称をさらに表示

6-アミノウラシル (4-)6-アミノピリミジン-2,4-ジオール6-アミノピリミジン-2,4(1H,3H)-ジオン6-アミノ-2,4(1H,3H)-ピリミジンジオン6-アミノウラシル4-アミノ-2,6-ジヒドロキシピリミジン2-ヒドロキシ-6-アミノ-3,4-ジヒドロピリミジン-4-オン4アミノウラシル4-アミノウラシル(6-〃)4-アミノウラシル6-アミノ-2,4-ピリミジンジオール4‐アミノ‐2,6‐ジヒドロキシピリミジン6-アミノ-2,4-ジヒドロキシピリミジン4-AMINOURACIL4-ADHPNSC 7367NSC 15919AKOS 92815AminuracilAminouracil

6-Amino-2,4-dihydroxypyrimidine143505-00-4Cytosine, 6-hydroxy-Uracil, 6-amino-143519-01-14-Amino-2,6-pyrimidinediol4-Amino-2,6-dioxypyrimidineMFCD00006071

データベース識別子

CAS: 873-83-6
PubChem CID: 70120
DTXSID: DTXSID5061241
ChEMBL: CHEMBL86636
ChEBI: CHEBI:184013
EC Number: 212-854-3
Nikkaji: J3.344H

物性

構造計算による物性

XLogP: -1.6
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: 360 °C · ≥360 °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
溶解性: DMSO（微量、加熱）、メタノール（微量）
外見: 結晶性粉末
酸解離定数(Pka): 3.76 · 3.76±0.10(Predicted)
色: クリーム～ライトブラウン
水溶解度: わずかに溶ける
BRN: 120491 · 120491
InChI: InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)
InChIKey: LNDZXOWGUAIUBG-UHFFFAOYSA-N
SMILES: C1(=O)NC(N)=CC(=O)N1
CAS データベース: 873 · 873-83-6(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2,4(1H,3H)-Pyrimidinedione, 6-amino- (873-83-6)

化学的性質

化学的特性cream to light brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 9.8% (5 of 51) of reports.

Warning

H302 (90.2%): 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 51 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 5 of 51 reports by companies.；There are 3 notifications provided by 46 of 51 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 Information2,4(1H,3H)-Pyrimidinedione, 6-amino-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (90.2%)

法規制情報

Regulatory Information2,4(1H,3H)-Pyrimidinedione, 6-amino-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 10-23
wgk: 3
tsca: TSCA listed
rtecs: YQ8750000
毒性: LDLo par-mus: 2400 mg/kg CBCCT* 7,696,55
hs_code: 29335995
化審法: (9)-65
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information2,4(1H,3H)-Pyrimidinedione, 6-amino-: ACTIVE

応用分野

用途有機合成原料。

調製方法 · 1 件

純化方法Purify the aminouracil by dissolving it in 3M aqueous NH3, filtering hot, and adding 3M formic acid until precipitation is complete. Cool, filter off (or centrifuge), wash well with cold H2O, then EtOH and dry it in air. Dry it further in a vacuum at ~80o. [Barlin & Pfeiderer J Chem Soc (B) 1424 1971, Beilstein 25 III/IV 4107.]