2-(4-Methoxyanilino)cyclohexanone
Basic information
- CAS
27904-56-9- Standard SMILES
COc1ccc(NC2CCCCC2=O)cc1- InChIKey
LTZCUDNVQLDYPS-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- 2-(4-Methoxyanilino)cyclohexanone
- IUPAC
- 2-(4-methoxyanilino)cyclohexan-1-one
- English name
- 2-[(4-methoxyphenyl)amino]cyclohexan-1-one
- Molecular formula
- C13H17NO2
- Molecular weight
- 219.27958
Names & synonyms
2-(4-METHOXYANILINO)CYCLOHEXANONERefChem:45789427904-56-9668-185-6AKOS0243243182-[(4-methoxyphenyl)amino]cyclohexan-1-one
Database identifiers
- CAS
27904-56-9- PubChem CID
- 3606487
- EC Number
- 668-185-6
- Nikkaji
- J3.272.311J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H302-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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