4-Methylpyrimidin-2-ylamin

2-Amino-4-methylpyrimidine

HCID 7939CAS 108-52-1

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Grundinformationen

Standard-SMILES: Cc1ccnc(N)n1
InChIKey: GHCFWKFREBNSPC-UHFFFAOYSA-N
Summenformel: C5H7N3
Durchschnittliche Molmasse: 109,13 g/mol
Monoisotopische Masse: 109,06399722

Überblick

2-Amino-4-methylpyrimidine is an aminopyrimidine.

Namen und Bezeichner

Bevorzugter Name: 2-Amino-4-methylpyrimidine
IUPAC: 4-methylpyrimidin-2-amine
Lokaler Name: 4-Methylpyrimidin-2-ylamin
Englischer Name: 2-Amino-4-methylpyrimidine
Summenformel: C5H7N3
Molmasse: 109.13

Namen und Synonyme

2-AMINO-4-METHYLPYRIMIDINE108-52-12-Pyrimidinamine, 4-methyl-6-Methyl-2-pyrimidinamine4-Methylpyrimidin-2-ylamineZEQ6ZS0OOCNSC 1939EINECS 203-591-5BRN 0108506AI3-08091NSC-19395-25-10-00160 (Beilstein Handbook Reference)

Weitere Namen anzeigen

TIMTEC-BB SBB004343AMINO-4-METHYLPYRIMIDINE2-amino-4-methyl-pyrimidin2-AMINO-4-METHYL-1,3-DIAZINE

RefChem:4643472-Pyrimidinamine, 4-methyl-(9CI)InChI=1/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,84-methylpyrimidin-2-amine4-Methyl-2-pyrimidinaminePyrimidine, 2-amino-4-methyl-MFCD000061012-AMINO-4-METHYL-PYRIMIDINE

Datenbank-Bezeichner

CAS: 108-52-1
PubChem CID: 7939
DTXSID: DTXSID90148349
ChEBI: CHEBI:170014
UNII: ZEQ6ZS0OOC
EC Number: 203-591-5
Nikkaji: J79.446E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 74,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDiamagnetic susceptibility

Physikochemische Eigenschaften

Schmelzpunkt: 158 · 158-160 °C(lit.)
Siedepunkt: 194.6 °C · 194.6°C (rough estimate)
Dichte: 1 g/cm3 · 1 g/cm3
Brechungsindex: 1.534 · 1.5340 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Crystalline Powder
pka: 1 · pK1: 4.11(+1) (20°C)
Farbe: Off-white to light brown
BRN: 108506 · 108506
CAS Datenbank: 108 · 108-52-1(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Amino-4-methylpyrimidine(108-52-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Pyrimidinamine, 4-methyl-: 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 CategoriesSkin Irrit. 2 (100%)