2,4,6-Triaminopyrimidine (HCID 13863)

名称と識別子

優先名称: 2,4,6-Triaminopyrimidine
IUPAC: pyrimidine-2,4,6-triamine
現地名: 2,4,6-トリアミノピリミジン
英語名: 2,4,6-Triaminopyrimidine
分子式: C4H7N5
分子量: 125.13

名称と別名

2,4,6-Triaminopyrimidine1004-38-22,4,6-PYRIMIDINETRIAMINECHEBI:39857NSC-26493D6ZP6F2ECKDTXSID3061394RefChem:82075DTXCID5032527213-720-7pyrimidine-2,4,6-triaminePyrimidine-2,4,6-triyltriamine

名称をさらに表示

2,4,6-トリアミノピリミジンピリミジン-2,4,6-トリアミン2,4,6-ピリミジントリアミン2，4，6トリアミノピリミジン2,4,6‐トリアミノピリミジン2,4,6-トリアミノピリミジン, 97%TRIAMINOPYRIMIDINEAKOS UB-202162,4,6-TriaminoIFLAB-BB F1918-00506-TriaMinopyriMidine2,4,6-Traminopyrimidne2,4,6-Triaminopyrimidin2,4,6-Triamino PyridinePyrimidin-2,4,6-triamin

MFCD00006100Pyrimidine, 2,4,6-triamino-CHEMBL571518Triamino pyrimidine2,4,6-Pyrimidinetriamine; Pyrimidine, 2,4,6-triamino- (6CI,7CI,8CI); 2,4,6-Triaminopyrimidine; NSC 26493; Pyrimidine-2,4,6-triamine3AYEINECS 213-720-7NSC 26493

データベース識別子

CAS: 1004-38-2
PubChem CID: 13863
DTXSID: DTXSID3061394
ChEMBL: CHEMBL571518
ChEBI: CHEBI:39857
UNII: D6ZP6F2ECK
EC Number: 213-720-7
Nikkaji: J146.967C

物性

構造計算による物性

XLogP: -0.8
極性表面積: 104 Å²
水素結合供与体数: 3
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 85

物理化学的性質

融点: 249 · 249-251 °C (lit.)
沸点: 222.58 °C · 222.58°C (rough estimate)
比重(密度): 1.2938 · 1.2938 (rough estimate)
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 1.71 · 1.7100 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: DMSO(Sparingly),Methanol(Slightly)
外見: 粉
酸解離定数(Pka): 6.84 · 6.84(at 20℃)
色: オフホワイトからベージュ
水溶解度: 36.5 g/L · 36.5g/L(20℃)
BRN: 118448 · 118448
InChI: 1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)
InChIKey: JTTIOYHBNXDJOD-UHFFFAOYSA-N
SMILES: Nc1cc(N)nc(N)n1
LogP: -1.95 at · -1.95 at 25℃
CAS データベース: 1004 · 1004-38-2(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2,4,6-Pyrimidinetriamine (1004-38-2)

化学的性質

化学的特性OFF-WHITE TO BEIGE POWDER

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (29.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (70%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 150 reports by companies from 6 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

Regulatory InformationStatus: Active Update: 23-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26919

Hazard Classes and CategoriesSkin Irrit. 2 (30%)；Eye Irrit. 2 (30%)；STOT SE 3 (29.3%)；Aquatic Chronic 3 (70%)

法規制情報

Regulatory InformationStatus: Active Update: 23-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26919

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information2,4,6-Pyrimidinetriamine: ACTIVE

応用分野

用途有機合成原料。

使用2,4,6-Triaminopyrimidine is an organic cation used to block paracellular conductance pathways of several epithelia in the rat kidney, ultimately affecting sodium and potassium excretion.