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

HCID 1838020

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Basic information

CAS: 78441-69-7
Standard SMILES: CN(C)Cc1nc(CO)cs1
InChIKey: BIEFSXASVIQOOS-UHFFFAOYSA-N
Molecular formula: C7H12N2OS
Average molar mass: 172.25 g/mol
Monoisotopic mass: 172.06703418

Names & identifiers

Preferred name: (2-((Dimethylamino)methyl)thiazol-4-yl)methanol
IUPAC: [2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methanol
English name: 2-(Dimethylaminomethyl)-4-thiazolemethanol
Molecular formula: C7H12N2OS
Molecular weight: 172.25

Names & synonyms

(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]-

Show more names

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)-

Database identifiers

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

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 121

Physicochemical properties

Boiling point: 273.1 · 273.1±25.0 °C(Predicted)
Density: 1.208 · 1.208±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 13.22 · 13.22±0.10(Predicted)
Appearance: Light yellow to light brown Viscous Liquid
CAS DataBase Reference: 78441 · 78441-69-7(CAS DataBase Reference)
FDA UNII: 6 K6QKG6ALN · 6K6QKG6ALN
Symbol(GHS): 9 · GHS09,GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H411
Precautionary statements: 264 · P264-P273-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
Hazard Codes: N
Risk Statements: 51 · 51/53
Safety Statements: 61 · 61

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesAquatic Chronic 2 (97.4%)

Safety data

risk_code: 51/53
Signal word: Warning
Symbol(GHS): GHS09,GHS07
hazard_code: N
safety_code: 61
Hazard statements: H315-H319-H335-H411
Precautionary statements: P264-P273-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313

Chemistry & industry

Applications

Uses2-[(Dimethylamino)methyl]-4-thiazolemethanol (Nizatidine EP Impurity J) is an impurity of the histamine H2-receptor antagonist Nizatidine (N598500).

Uses2-[(Dimethylamino)methyl]-4-thiazolemethanol is an impurity of the histamine H2-receptor antagonist Nizatidine (N598500).