2,2-Dimethyl-2,3-dihydroquinolin-4(1H)-one
Basic information
- CAS
132588-91-1- Standard SMILES
CC1(C)CC(=O)c2ccccc2N1- InChIKey
RWVLKDAXCNBLPV-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- 2,2-Dimethyl-2,3-dihydroquinolin-4(1H)-one
- IUPAC
- 2,2-dimethyl-1,3-dihydroquinolin-4-one
- English name
- 2,2-Dimethyl-2,3-dihydro-1H-quinolin-4-one
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
132588-91-12,2-dimethyl-2,3-dihydroquinolin-4(1H)-oneDTXSID703491954(1H)-quinolinone, 2,3-dihydro-2,2-dimethyl-RefChem:81043DTXCID30300267886-548-9InChI=1/C11H13NO/c1-11(2)7-10(13)8-5-3-4-6-9(8)12-11/h3-6,12H,7H2,1-2H2,2-DIMETHYL-2,3-DIHYDRO-1H-QUINOLIN-4-ONE2,2-dimethyl-1,3-dihydroquinolin-4-oneMFCD099979102,2-dimethyl-1,2,3,4-tetrahydroquinolin-4-one
Show more names
SCHEMBL22492411SCHEMBL29789856HFA58891AKOS006305677SB32836BS-41626DB-062914
Database identifiers
- CAS
132588-91-1- PubChem CID
- 643487
- DTXSID
DTXSID70349195- EC Number
- 886-548-9
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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 (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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…