3-[4-(Sec-butyl)anilino]-1-(2-naphthyl)-1-propanone
Basic information
- CAS
882748-30-3- Standard SMILES
CCC(C)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1- InChIKey
RDTZJCQGPQLPTB-UHFFFAOYSA-N- Molecular formula
- C23H25NO
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.19361442
Names & identifiers
- Preferred name
- 3-[4-(Sec-butyl)anilino]-1-(2-naphthyl)-1-propanone
- IUPAC
- 3-(4-butan-2-ylanilino)-1-naphthalen-2-ylpropan-1-one
- English name
- 3-[4-(sec-Butyl)anilino]-1-(2-naphthyl)-1-propanone
- Molecular formula
- C23H25NO
- Molecular weight
- 331.45
Names & synonyms
882748-30-33-[4-(sec-butyl)anilino]-1-(2-naphthyl)-1-propanone3-{[4-(butan-2-yl)phenyl]amino}-1-(naphthalen-2-yl)propan-1-one3-(4-butan-2-ylanilino)-1-naphthalen-2-ylpropan-1-oneMFCD03932029AKOS005108312JS-22921-(2-naphthyl)-3-(4-sec-butylanilino)propan-1-one3-(4-sec-butylanilino)-1-(2-naphthyl)-1-propanone3-((4-(Sec-butyl)phenyl)amino)-1-(naphthalen-2-yl)propan-1-oneSALOR-INT L171085-1EA1-Propanone, 3-[[4-(1-methylpropyl)phenyl]amino]-1-(2-naphthalenyl)-
Database identifiers
- CAS
882748-30-3- PubChem CID
- 3357960
- EC Number
- 123-810-7
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 412
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, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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