CAS 61278-81-7 1-(diethoxymethyl)-1H-imidazole (HCID 3849535)

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Basic information

CAS: 61278-81-7
Standard SMILES: CCOC(OCC)n1ccnc1
InChIKey: NNQBAGFIYBBAFL-UHFFFAOYSA-N
Molecular formula: C8H14N2O2
Average molar mass: 170.21 g/mol

Names & identifiers

Preferred name: 1-(diethoxymethyl)-1H-imidazole
IUPAC: 1-(diethoxymethyl)imidazole

Names & synonyms

1-(Diethoxymethyl)-1H-imidazoleRefChem:427611627-227-31-(Diethoxymethyl)imidazole61278-81-7MFCD009563311-DiethoxymethylimidazoleN-(diethoxymethyl)imidazoleAKOS0003206571-(Diethoxymethyl)imidazole, >=97.0%imidazole-l-carboxaldehyde diethyl acetalEN300-181928

Show more names

F14529methyl(3alpha,14N-diethoxymethylimidazoleFT-0640740SCHEMBL577251-diethoxymethyl-1h-imidazoleAS-93976DB-053829

Database identifiers

CAS: 61278-81-7
PubChem CID: 3849535
EC Number: 627-227-3
Nikkaji: J2.416.620A

Properties

Computed structural propertiesFilling in

XLogP: 0.6
Topological polar surface area: 36.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 116

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

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, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.