2-(Aminomethyl)-5-methylpyrazine

HCID 2756496

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Grundinformationen

CAS: 132664-85-8
Standard-SMILES: Cc1cnc(CN)cn1
InChIKey: MPBCUCGKHDEUDD-UHFFFAOYSA-N
Summenformel: C6H9N3
Durchschnittliche Molmasse: 123,16 g/mol
Monoisotopische Masse: 123,07964729

Namen und Bezeichner

Bevorzugter Name: 2-(Aminomethyl)-5-methylpyrazine
IUPAC: (5-methylpyrazin-2-yl)methanamine
Englischer Name: 2-(Aminomethyl)-5-methylpyrazine
Summenformel: C6H9N3
Molmasse: 123.16

Namen und Synonyme

2-(Aminomethyl)-5-methylpyrazine132664-85-8DTXSID90373396RefChem:253126DTXCID30324428671-087-6(5-methylpyrazin-2-yl)methanamineMFCD013145422-Pyrazinemethanamine, 5-methyl-(5-methylpyrazin-2-yl)methylamine1-(5-methylpyrazin-2-yl)methanamine5-Methyl-2-pyrazinemethanamine; (5-Methylpyrazin-2-yl)methanamine; 1-(5-Methyl-2-pyrazinyl)methanamine

Weitere Namen anzeigen

2-PyrazineMethanaMine,5-Methyl-(5-methyl-2-pyrazinyl)methanamine1-(5-Methyl-2-pyrazinyl)methanamine2-(Aminomethyl)-5-methylpyrazine >2-(AMinoMethyl)-5-Methylpyrazine HCL2-(AMINOMETHYL)-5-METHYLPYRAZINE 97%

Pyrazinemethanamine, 5-methyl-2-aminomethyl-5-methylpyrazineSCHEMBL54765-aminomethyl-2-methylpyrazine5-methyl-2-pyrazinemethanamineSCHEMBL4706525SCHEMBL14793643SCHEMBL29412844

Datenbank-Bezeichner

CAS: 132664-85-8
PubChem CID: 2756496
DTXSID: DTXSID90373396
EC Number: 671-087-6
Nikkaji: J254.867D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,9
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 84,4

Physikochemische Eigenschaften

Siedepunkt: 216.2 · 216.2±35.0 °C(Predicted)
Dichte: 1.09 · 1.09
Brechungsindex: 1.538 · 1.5380-1.5430
storage temp.: Refrigerator
pka: 6.94 · 6.94±0.29(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Yellow to Green
Wichte: 1.09 · 1.09
InChI: InChI=1S/C6H9N3/c1-5-3-9-6(2-7)4-8-5/h3-4H,2,7H2,1H3
InChIKey: MPBCUCGKHDEUDD-UHFFFAOYSA-N
SMILES: C1(CN)=NC=C(C)N=C1
CAS Datenbank: 132664 · 132664-85-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (92.9%)

Sicherheitsdaten

ridadr: 2735
hs_code: 2933998090
risk_code: 21/22-34-41-37/38-22
hazard_code: Xn
safety_code: 26-36/37/39-39
hazard_class: 8
packing_group: II

Chemie und Industrie

Anwendungen · 1 Eintrag

Beschreibung2-(Aminomethyl)-5-methylpyrazine can be used as a pharmaceutical synthesis intermediate, for example, to prepare pyrocatecholamide, which is an antiplatelet drug with a dual inhibitory action. This substance can be prepared from 2,5-dimethylpyrazine as a reaction raw material.