1-Benzyl-5-hydroxymethyl-1H-imidazole

HCID 2773235CAS 80304-50-3

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Grundinformationen

Standard-SMILES: OCc1cncn1Cc1ccccc1
InChIKey: GQZILHANXWXTIW-UHFFFAOYSA-N
Summenformel: C11H12N2O
Durchschnittliche Molmasse: 188,23 g/mol
Monoisotopische Masse: 188,09496301

Namen und Bezeichner

Bevorzugter Name: 1-Benzyl-5-hydroxymethyl-1H-imidazole
IUPAC: (3-benzylimidazol-4-yl)methanol
Englischer Name: 1-Benzyl-5-hydroxymethyl-1H-imidazole
Summenformel: C11H12N2O
Molmasse: 188.23

Namen und Synonyme

1-Benzyl-5-hydroxymethyl-1h-imidazole80304-50-3DTXSID60378297RefChem:228114DTXCID00329324801-906-6(3-benzylimidazol-4-yl)methanol(1-benzyl-1H-imidazol-5-yl)methanolMFCD021795241H-Imidazole-5-methanol,1-(phenylmethyl)-Maybridge3_002496SCHEMBL3079356

Weitere Namen anzeigen

RARECHEM AL BD 12621-Benzyl-5-(hydroxymethyl)imidazole[3-(phenylmethyl)-4-imidazolyl]methanol1-(Phenylmethyl)-1H-imidazole-5-methanol

SCHEMBL6748340CHEMBL37870671-benzyl-5-hydroxymethylimidazoleGQZILHANXWXTIW-UHFFFAOYSA-NHMS1438B101-Benzyl-5-hydroxymethyl-imidazoleFDA30450CCG-52512

Datenbank-Bezeichner

CAS: 80304-50-3
PubChem CID: 2773235
DTXSID: DTXSID60378297
ChEMBL: CHEMBL3787067
EC Number: 801-906-6
Nikkaji: J783.222B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 38,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 169

Physikochemische Eigenschaften

Schmelzpunkt: 133 · 133-134°C
Aggregatzustand: solid
InChI: 1S/C11H12N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2
InChIKey: GQZILHANXWXTIW-UHFFFAOYSA-N
SMILES: OCc1cncn1Cc2ccccc2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (97.5%): 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 3 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.