Basic information
- CAS
103541-08-8- Standard SMILES
CN(C)C=CC(=O)C(c1ccccc1)c1ccccc1- InChIKey
JKRJXPWLKZXGLL-UHFFFAOYSA-N- Molecular formula
- C18H19NO
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.14666423
Overview
4-(dimethylamino)-1,1-diphenylbut-3-en-2-one is a diarylmethane.
Names & identifiers
- Preferred name
- 4-(Dimethylamino)-1,1-diphenylbut-3-en-2-one
- IUPAC
- 4-(dimethylamino)-1,1-diphenylbut-3-en-2-one
- English name
- 4-(DIMETHYLAMINO)-1,1-DIPHENYL-3-BUTEN-2-ONE
- Molecular formula
- C18H19NO
- Molecular weight
- 265.35
Names & synonyms
4-(dimethylamino)-1,1-diphenylbut-3-en-2-oneMaybridge4_000976SCHEMBL10858100CHEBI:228379JKRJXPWLKZXGLL-UHFFFAOYSA-NAKOS0302437384-Dimethylamino-1,1-diphenyl-3-buten-2-one4-(dimethylamino)-1,1-diphenyl-but-3-en-2-one4-(DIMETHYLAMINO)-1,1-DIPHENYL-3-BUTEN-2-ONE3-Buten-2-one, 4-(dimethylamino)-1,1-diphenyl-
Database identifiers
- CAS
103541-08-8- PubChem CID
- 2806014
- ChEBI
CHEBI:228379
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 399.4 · 399.4±42.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- pka
- 6.48 · 6.48±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 260 · P260-P280-P312
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2914120000 · 2914120000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2914120000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
1 records
Compound notes
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