(2-((Dimethylamino)methyl)thiazol-4-yl)methanol

HCID 1838020CAS 78441-69-7

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Grundinformationen

Standard-SMILES: CN(C)Cc1nc(CO)cs1
InChIKey: BIEFSXASVIQOOS-UHFFFAOYSA-N
Summenformel: C7H12N2OS
Durchschnittliche Molmasse: 172,25 g/mol
Monoisotopische Masse: 172,06703418

Namen und Bezeichner

Bevorzugter Name: (2-((Dimethylamino)methyl)thiazol-4-yl)methanol
IUPAC: [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol
Englischer Name: 2-(Dimethylaminomethyl)-4-thiazolemethanol
Summenformel: C7H12N2OS
Molmasse: 172.25

Namen und Synonyme

(2-((dimethylamino)methyl)thiazol-4-yl)methanol[2-[(dimethylamino)methyl]thiazol-4-yl]methanolRefChem:394784809-745-378441-69-7{2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methanol2-(Dimethylaminomethyl)-4-thiazolemethanolNizatidine EP Impurity J[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol6K6QKG6ALNMFCD064076474-Thiazolemethanol, 2-[(dimethylamino)methyl]-

Weitere Namen anzeigen

CBI-BB ZERO/005461Nizatidine Impurity 15Nizatidine EP impurity 12-(Dimethylaminomethyl)-4-thiazolemethano2-(Dimethylaminomethyl)thiazole-4-methanol[2-[(dimethylamino)methyl]-4-thiazolyl]methanolNizatidine Impurity 10(Nizatidine EP Impurity J)

2-Dimethylaminomethyl-4-hydroxymethylthiazole2-[(Dimethylamino)methyl]-4-thiazolemethanolUNII-6K6QKG6ALNNizatidine impurity J [EP](2-[(Dimethylamino)methyl]-1,3-thiazol-4-yl)methanol2-((Dimethylamino)methyl)-4-thiazolemethanol(2-Dimethylaminomethyl-thiazol-4-yl)-methanol4-Thiazolemethanol, 2-((dimethylamino)methyl)-

Datenbank-Bezeichner

CAS: 78441-69-7
PubChem CID: 1838020
DTXSID: DTXSID30365356
UNII: 6K6QKG6ALN
EC Number: 809-745-3
Nikkaji: J470.155K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 64,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 121

Physikochemische Eigenschaften

Siedepunkt: 273.1 · 273.1±25.0 °C(Predicted)
Dichte: 1.208 · 1.208±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 13.22 · 13.22±0.10(Predicted)
CAS Datenbank: 78441 · 78441-69-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

H411 (97.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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.