3,5-Dimethylpyridin-2-amin

3,5-Dimethylpyridin-2-amine

HCID 3016310CAS 41995-30-6

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Grundinformationen

Standard-SMILES: Cc1cnc(N)c(C)c1
InChIKey: NLDDLJBGRZJASZ-UHFFFAOYSA-N
Summenformel: C7H10N2
Durchschnittliche Molmasse: 122,17 g/mol
Monoisotopische Masse: 122,08439833

Namen und Bezeichner

Bevorzugter Name: 3,5-Dimethylpyridin-2-amine
IUPAC: 3,5-dimethylpyridin-2-amine
Lokaler Name: 3,5-Dimethylpyridin-2-amin
Englischer Name: 3,5-dimethylpyridin-2-amine
Summenformel: C7H10N2
Molmasse: 122.17

Namen und Synonyme

3,5-Dimethylpyridin-2-amine41995-30-63,5-Dimethyl-2-pyridinamineEINECS 255-613-8DTXSID50194802RefChem:487050DTXCID50117293255-613-82-AMINO-3,5-DIMETHYLPYRIDINEMFCD110403412-amino-3,5-dimethyl pyridineCHEMBL61430

Weitere Namen anzeigen

3,5-Dimethylpyridin-2-ylamine2-Amino-3,5-dimethylpyridine≥ 99% (HPLC)

SCHEMBL914502-PYRIDINAMINE, 3,5-DIMETHYL-2-Pyridinamine,3,5-dimethyl-3,5-Dimethyl-pySCHEMBL316199213,5-Dimethyl-pyridin-2-ylamine3,5-dimethyl-pyridin-2-yl-amineBDBM50091815

Datenbank-Bezeichner

CAS: 41995-30-6
PubChem CID: 3016310
DTXSID: DTXSID50194802
ChEMBL: CHEMBL61430
EC Number: 255-613-8
Nikkaji: J278.305C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 92

Physikochemische Eigenschaften

Siedepunkt: 110 °C · 110 °C(Press: 10 Torr)
Dichte: 1.039 · 1.039±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 7.35 · 7.35±0.49(Predicted)
InChI: InChI=1S/C7H10N2/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3,(H2,8,9)
InChIKey: NLDDLJBGRZJASZ-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(C)C=C1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (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.；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.