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O-Tolu-P-phenetidide

HCID 710558
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
5357-81-3
Standard SMILES
CCOc1ccc(NC(=O)c2ccccc2C)cc1
InChIKey
FOHJDOWRSTYKIE-UHFFFAOYSA-N
Molecular formula
C16H17NO2
Average molar mass
255.31 g/mol
Monoisotopic mass
255.12592879

Names & identifiers

Preferred name
O-Tolu-P-phenetidide
IUPAC
N-(4-ethoxyphenyl)-2-methylbenzamide

Names & synonyms

O-TOLU-P-PHENETIDIDE55814-39-6RefChem:855332666-801-8N-(4-ethoxyphenyl)-2-methylbenzamide5357-81-3Cambridge id 5357813Oprea1_381026Oprea1_489337SCHEMBL4442096DTXSID10968344STK060156
Show more names
AKOS002934481ST010588N-(4-ethoxyphenyl)(2-methylphenyl)carboxamideAB00082801-01SR-01000206902SR-01000206902-1

Database identifiers

CAS
5357-81-3、55814-39-6
PubChem CID
710558
DTXSID
DTXSID10968344
EC Number
666-801-8
Nikkaji
J3.098.593A

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
284

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Acute 1 (100%)

Related reactions

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New reaction record

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes