Oxane-4-carboxamide

HCID 13197203CAS 344329-76-6

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Basic information

Standard SMILES: NC(=O)C1CCOCC1
InChIKey: DGOYLVBDCVINQZ-UHFFFAOYSA-N
Molecular formula: C6H11NO2
Average molar mass: 129.16 g/mol
Monoisotopic mass: 129.07897859

Names & identifiers

Preferred name: Oxane-4-carboxamide
IUPAC: oxane-4-carboxamide
English name: Tetrahydro-2H-pyran-4-carboxamide
Molecular formula: C6H11NO2
Molecular weight: 129.16

Names & synonyms

344329-76-6oxane-4-carboxamideDTXSID70526525RefChem:857068DTXCID60477330687-961-5tetrahydro-2H-pyran-4-carboxamide4-CarbamoyltetrahydropyranTetrahydropyran-4-carboxamide4-Carbamoyltetrahydro-2H-pyranMFCD08235066tetrahydro-2H-4-pyrancarboxamide

Show more names

Tetrahydropyran-4-carboxamid4-tetrahydropyrancarboxamide1-benzothiophen-7-ylmethanol4-Carbamoyltetrahydropyran, 98%

2H-Pyran-4-carboxamide, tetrahydro-SCHEMBL11272323,4,5,6-Tetrahydro-2H-pyran-4-carboxamide2H-3,4,5,6-tetrahydropyran-4-carboxamide7FZY3NA24PDGOYLVBDCVINQZ-UHFFFAOYSAorb3030422SCHEMBL1370837

Database identifiers

CAS: 344329-76-6
PubChem CID: 13197203
DTXSID: DTXSID70526525
UNII: 7FZY3NA24P
EC Number: 687-961-5
Nikkaji: J2.566.026I

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 181 · 181-183
Boiling point: 312.1 · 312.1±31.0 °C(Predicted)
Density: 1.114 · 1.114
storage temp.: Sealed in dry,Room Temperature
pka: 16.31 · 16.31±0.20(Predicted)
form: solid
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-20/21/22
Safety Statements: 24 · 24/25-36/37
Hazard Note: Irritant/Keep Cold
HazardClass: IRRITANT
HS Code: 29339900 · 29339900

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, 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.