3-(Propan-2-yl)-1,2-oxazol-5-amine

HCID 2115208

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Basic information

CAS: 88786-11-2
Standard SMILES: CC(C)c1cc(N)on1
InChIKey: GHLVMBXOBZVJIC-UHFFFAOYSA-N
Molecular formula: C6H10N2O
Average molar mass: 126.16 g/mol
Monoisotopic mass: 126.07931294

Names & identifiers

Preferred name: 3-(Propan-2-yl)-1,2-oxazol-5-amine
IUPAC: 3-propan-2-yl-1,2-oxazol-5-amine
English name: 3-ISOPROPYLISOXAZOL-5-AMINE
Molecular formula: C6H10N2O
Molecular weight: 126.16

Names & synonyms

3-(PROPAN-2-YL)-1,2-OXAZOL-5-AMINERefChem:495957695-010-03-isopropylisoxazol-5-amine88786-11-2MFCD063351793-propan-2-yl-1,2-oxazol-5-amine3-Isopropyl-isoxazol-5-ylamine5-AMINO-3-ISOPROPYLISOXAZOLE[3-(PROPAN-2-YL)-1,2-OXAZOL-5-YL]AMINESCHEMBL668096DTXSID90366602

Show more names

I801303-Amino-5-isopropylisoxazole3-Isopropylisoxazol-5-amine ,97%3-propan-2-yl-5-oxazol-3-iumamine3-isopropyl-5-isoxazolamine(SALTDATA: FREE)

AB23736CG-0713F2124-0438Z569857603-isopropyl-1,2-oxazol-5-amine5-Isoxazolamine, 3-(1-methylethyl)-3-isopropylisoxazole-5-amine3-propan-2-yloxazol-5-amine

Database identifiers

CAS: 88786-11-2
PubChem CID: 2115208
DTXSID: DTXSID90366602
EC Number: 695-010-0
Nikkaji: J3.151.270K

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 52.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 95.1

Physicochemical properties

Boiling point: 239.5 · 239.5±20.0 °C(Predicted)
Density: 1.07 · 1.070±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: -0.86 · -0.86±0.50(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
HS Code: 29309090 · 29309090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.