1H-Purin-2-amin

9H-Purin-2-amine · sq22451 · SQ 22451 · SQ 22,451 · 4-purinamine · iso-Adenine · 2-Aminoperin · 2-amino-purin

Identifikatoren & physikalische Daten

CAS No.	452-06-2
Summenformel	C5H5N5
Durchschnittliche Molmasse	135,13 g/mol
Monoisotopische Masse	135,05449516 g/mol
SMILES	Nc1ncc2[nH]cnc2n1
InChIKey	MWBWWFOAEOYUST-UHFFFAOYSA-N
PubChem CID	9955
ChEMBL	CHEMBL388594
ChEBI	CHEBI:479072
EC No.	207-197-4
DTXSID	DTXSID40196416
Lokaler Name	1H-Purin-2-amin

XLogP	-0,2
Polarare Oberfläche (TPSA)	80,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	127
Löslichkeit	>20.3 [ug/mL] (The mean of the results at pH 7.4)Aqueous Acid (Slightly), Methanol (Slightly, Heated)
Schmelzpunkt	280-282 °C (lit.)
Siedepunkt	238.81°C (rough estimate)
Dichte	1.3795 (rough estimate)
Brechungsindex	1.7000 (estimate)
Lagerbedingungen	2-8°C
Aggregatzustand	Amorphous Powder
pKa (Säurekonstante)	8.02±0.20(Predicted)
Farbe	Light beige
Biologische Quelle	synthetic
Stabilität	Hygroscopic
InChI	1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)
InChIKey	MWBWWFOAEOYUST-UHFFFAOYSA-N
SMILES	Nc1ncc2[nH]cnc2n1
CAS Datenbank	452-06-2(CAS DataBase Reference)
NIST chemische Informationen	Purine, 2-amino-(452-06-2)

GHS-Einstufung	WarningH302 (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 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29349990
RTECS-Nr.	UO7475000
R-Sätze (R)	22-36/37/38-20/21/22
Toxizität	mmo-sat 100 mg/PLATE MUREAV 111,283,83
Gefahrensymbole	Xn
Sicherheitshinweise (S)	22-36-26
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 Oral

2-Aminopurine has been used to inhibit eukaryotic initiation factor-2α (eIF2α)-phosphorylation of osteoarthritis (OA) chondrocytes.