CAS 55242-82-5 1,3-Oxazol-4-ylmethanamine (HCID 23055690)

Substructure search Find similar structures

Basic information

CAS: 55242-82-5
Standard SMILES: NCc1cocn1
InChIKey: ULZXEYFKBUPRQM-UHFFFAOYSA-N
Molecular formula: C4H6N2O
Average molar mass: 98.1 g/mol
Monoisotopic mass: 98.04801281

Names & identifiers

Preferred name: 1,3-Oxazol-4-ylmethanamine
IUPAC: 1,3-oxazol-4-ylmethanamine
English name: Oxazol-4-yl-methylamine hydrochloride
Molecular formula: C4H6N2O
Molecular weight: 98.1

Names & synonyms

1,3-oxazol-4-ylmethanamineRefChem:415395816-813-655242-82-5OXAZOL-4-YL-METHYLAMINEOxazol-4-ylmethanamine4-OXAZOLEMETHAMINE4-(AMINOMETHYL)OXAZOLE4-(Aminomethyl)-1,3-oxazoleMFCD04114937(1,3-Oxazol-4-yl)methylamine9OI

Show more names

oxazol-4-ylMethanaMine hydrochlorideC-oxazol-4-yl-methylamineN-Methyl-1,3-oxazol-4-aMineN-chloro(oxazol-4-yl)methanamine

4-aminomethyl-oxazoleSCHEMBL349377SCHEMBL4573333SCHEMBL4927594(1,3-oxazol-4-yl)methanamineDTXSID50630098ULZXEYFKBUPRQM-UHFFFAOYSA-N1-(1,3-Oxazol-4-yl)methanamine

Database identifiers

CAS: 55242-82-5
PubChem CID: 23055690
DTXSID: DTXSID50630098
EC Number: 816-813-6

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 52.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 57.7

Physicochemical properties

Boiling point: 183 ℃ · 183℃
Density: 1.148 · 1.148
Flash point: 65 ℃ · 65℃
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 7.46 · 7.46±0.29(Predicted)
Appearance: Light-Yellow Powder
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: Xi
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2934999090
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi
Hazard statements: H314
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications

UsesOxazol-4-yl-methanamine is used as a reactant in the preparation of piperazin-1-yl-pyridazine-based selective stearoyl-CoA desaturase-1 inhibitors for the treatment of obesity and metabolic syndrome.