N-(oxan-4-ylidene)hydroxylamine

HCID 12298558CAS 61128-73-2

Substructure search Find similar structures

Basic information

Standard SMILES: ON=C1CCOCC1
InChIKey: COGGGWRHZQTITF-UHFFFAOYSA-N
Molecular formula: C5H9NO2
Average molar mass: 115.13 g/mol
Monoisotopic mass: 115.06332853

Names & identifiers

Preferred name: N-(oxan-4-ylidene)hydroxylamine
IUPAC: N-(oxan-4-ylidene)hydroxylamine
English name: Tetrahydro-pyran-4-one oxime
Molecular formula: C5H9NO2
Molecular weight: 115.13

Names & synonyms

N-(oxan-4-ylidene)hydroxylamineRefChem:828527967-893-561128-73-2tetrahydro-4H-pyran-4-one oximeDihydro-2H-pyran-4(3H)-one oximeTetrahydropyran-4-one oximeTETRAHYDRO-PYRAN-4-ONE OXIMEMFCD099988424H-Pyran-4-one, tetrahydro-, oximeSCHEMBL1114317SCHEMBL3613890

Show more names

TETRAHYDRO PYRAN-4-ONE OXIME (0.3 KGS)Tetrahydro-4H-pyran-4-one oxime - [T0658]

SCHEMBL4096049tetrahydro-4H-Pyran-4-oneoximeDTXSID40486041COGGGWRHZQTITF-UHFFFAOYSA-NALBB-005302Dihydro-2H-pyran-4(3H);-one oximeAKOS005171578AB55822

Database identifiers

CAS: 61128-73-2
PubChem CID: 12298558
DTXSID: DTXSID40486041
EC Number: 967-893-5
Nikkaji: J879.734J

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 41.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 92.6

Physicochemical properties

Melting point: 87 · 87-88°
Boiling point: 99 · 99-100°/6mm
storage temp.: -20 °C · Storage temp. -20°C
Appearance: White to off-white Solid
InChI: InChI=1S/C5H9NO2/c7-6-5-1-3-8-4-2-5/h7H,1-4H2
InChIKey: COGGGWRHZQTITF-UHFFFAOYSA-N
SMILES: C1OCC/C(=N/O)/C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

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