4-(4-Isobutylphenyl)-1,3-thiazol-2-amine

HCID 869862CAS 351982-44-0

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Grundinformationen

Standard-SMILES: CC(C)Cc1ccc(-c2csc(N)n2)cc1
InChIKey: QHFXFYBCBXWOGR-UHFFFAOYSA-N
Summenformel: C13H16N2S
Durchschnittliche Molmasse: 232,35 g/mol
Monoisotopische Masse: 232,10341969

Namen und Bezeichner

Bevorzugter Name: 4-(4-Isobutylphenyl)-1,3-thiazol-2-amine
IUPAC: 4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
Englischer Name: 4-(4-Isobutylphenyl)-1,3-thiazol-2-amine
Summenformel: C13H16N2S
Molmasse: 232.34

Namen und Synonyme

4-(4-isobutylphenyl)-1,3-thiazol-2-amine351982-44-0DTXSID30357857RefChem:288064DTXCID603089134-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amineMFCD014715744-(4-Isobutylphenyl)thiazol-2-amine4-(4-Isobutylphenyl)thiazol-2-ylamineCambridge id 57724512-Thiazolamine, 4-[4-(2-methylpropyl)phenyl]-Oprea1_401354

Weitere Namen anzeigen

4-(4-isobutylphenyl)-1,3-thiazol-2-amine(SALTDATA: FREE)

SCHEMBL474305QHFXFYBCBXWOGR-UHFFFAOYSA-NALBB-001553BBL015645STK415820AKOS000263432CCG-324417VS-04986

Datenbank-Bezeichner

CAS: 351982-44-0
PubChem CID: 869862
DTXSID: DTXSID30357857
EC Number: 672-131-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 67,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 212

Physikochemische Eigenschaften

Schmelzpunkt: 112 · 112-116 °C(Solv: methanol (67-56-1))
Siedepunkt: 391 · 391.0±21.0 °C(Predicted)
Dichte: 1.128 · 1.128±0.06 g/cm3(Predicted)
pka: 4.43 · 4.43±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 2 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.