4,6-Dimethylpyrimidin-2-ylamin

4,6-DIMETHYLPYRIMIDIN-2-AMINE · ADLP · inx-993 · NSC 3278 · AKOS MSC-0099 · TIMTEC-BB SBB004275 · 2-Amino-4,6-dimethyl · 6-diMethylpyriMidine

Identifikatoren & physikalische Daten

CAS No.	767-15-7
Summenformel	C6H9N3
Durchschnittliche Molmasse	123,16 g/mol
Monoisotopische Masse	123,07964729 g/mol
SMILES	Cc1cc(C)nc(N)n1
InChIKey	IDQNBVFPZMCDDN-UHFFFAOYSA-N
PubChem CID	13021
ChEMBL	CHEMBL4546836
ChEBI	CHEBI:181699
EC No.	212-181-5
DTXSID	DTXSID8052510
Lokaler Name	4,6-Dimethylpyrimidin-2-ylamin

XLogP	0,7
Polarare Oberfläche (TPSA)	51,8
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	9
Formalladung	0
Komplexität	84,3
SpringerMaterials Properties	15N nuclear magnetic resonance spectrum
Pestizide	Environmental transformation -> Pesticide transformation products (metabolite, successor)
Collision Cross Section	123.0 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID8052510]
Schmelzpunkt	151-153 °C (lit.)
Siedepunkt	219.27°C (rough estimate)
Dichte	1.1097 (rough estimate)
Brechungsindex	1.5589 (estimate)
Lagerbedingungen	Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Crystalline Powder
pKa (Säurekonstante)	5.11±0.10(Predicted)
Farbe	White to beige
BRN	110735
InChI	1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
InChIKey	IDQNBVFPZMCDDN-UHFFFAOYSA-N
SMILES	Cc1cc(C)nc(N)n1
CAS Datenbank	767-15-7(CAS DataBase Reference)
NIST chemische Informationen	2-Pyrimidinamine, 4,6-dimethyl-(767-15-7)
EPA chemische Informationen	2-Amino-4,6-dimethylpyrimidine (767-15-7)

GHS-Einstufung	WarningH302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: 2-Pyrimidinamine, 4,6-dimethyl-
Hazard Classes and Categories	Acute Tox. 4 (86.7%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29335995
RTECS-Nr.	UV6260496
R-Sätze (R)	22-36/37/38
Gefahrensymbole	Xn,Xi
hazard_note	Irritant
Sicherheitshinweise (S)	37/39-26
Lagerklasse	11 - Combustible Solids