3-Methyl-4-pyridinamin

3-Methyl-4-pyridinamine

HCID 74811

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Grundinformationen

CAS: 1990-90-5
Standard-SMILES: Cc1cnccc1N
InChIKey: VGJLGPCXUGIXRQ-UHFFFAOYSA-N
Summenformel: C6H8N2
Durchschnittliche Molmasse: 108,14 g/mol
Monoisotopische Masse: 108,06874826

Namen und Bezeichner

Bevorzugter Name: 3-Methyl-4-pyridinamine
IUPAC: 3-methylpyridin-4-amine
Lokaler Name: 3-Methyl-4-pyridinamin
Englischer Name: 3-Methyl-4-aminopyridine
Summenformel: C6H8N2
Molmasse: 108.14

Namen und Synonyme

1990-90-53-Methyl-4-aminopyridine3-Methyl-4-pyridinamineDTXSID90173676RefChem:94766DTXCID3096167217-872-53-Methylpyridin-4-amine4-Amino-3-methylpyridine4-Amino-3-picoline4-Pyridinamine, 3-methyl-Phillips 1908

Weitere Namen anzeigen

philips1908Phillips-1908-4-aminopyridine4-amino-3-picolin3-methyl-4-pyridinamin4-Amino-3-picoline HCl

3-Picoline, 4-amino-Philips 1908MFCD017044313-methyl-pyridin-4-ylamine3-methyl-4-pyridinylamine4-Amino-3-methyl pyridine3-methylpyridine-4-amine3-methyl-4 amino pyridine

Datenbank-Bezeichner

CAS: 1990-90-5
PubChem CID: 74811
DTXSID: DTXSID90173676
EC Number: 217-872-5
Nikkaji: J50.529C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 72

Physikochemische Eigenschaften

Schmelzpunkt: 106 · 106-107
Siedepunkt: 192.78 °C · 192.78°C (rough estimate)
Dichte: 0.9581 · 0.9581 (rough estimate)
Brechungsindex: 1.54 · 1.5400 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: powder to crystal
pka: 1 · pK1: 9.43(+1) (25°C)
Farbe: 6 H6/pet · Crystals from C6H6/pet ether
InChI: InChI=1S/C6H8N2/c1-5-4-8-3-2-6(5)7/h2-4H,1H3,(H2,7,8)
InChIKey: VGJLGPCXUGIXRQ-UHFFFAOYSA-N
SMILES: C1=NC=CC(N)=C1C
CAS Datenbank: 1990 · 1990-90-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 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.