Butyramide, 4-diisopropylamino-2,2-diphenyl-
Basic information
- CAS
39666-27-8- Standard SMILES
CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C- InChIKey
KNIVGGRCJWRCDV-UHFFFAOYSA-N- Molecular formula
- C22H30N2O
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.23581359
Names & identifiers
- Preferred name
- Butyramide, 4-diisopropylamino-2,2-diphenyl-
- IUPAC
- 4-[di(propan-2-yl)amino]-2,2-diphenylbutanamide
- English name
- 4-(diisopropylamino)-2,2-diphenylbutyramide
- Molecular formula
- C22H30N2O
- Molecular weight
- 338.4864
Names & synonyms
39666-27-8EINECS 254-572-3BMU3BU9ZFM4-Diisopropylamino-2,2-diphenylbutyramideBUTYRAMIDE, 4-DIISOPROPYLAMINO-2,2-DIPHENYL-BRN 2759663Benzeneacetamide, alpha-(2-(bis(1-methylethyl)amino)ethyl)-alpha-phenyl-NSC-15519DTXSID801927704-14-00-01852 (Beilstein Handbook Reference)NSC 15519alpha-[2-[Bis(1-methylethyl)amino]ethyl]-alpha-phenylbenzeneacetamide
Show more names
Benzeneacetamide, α-[2-[bis(1-methylethyl)amino]ethyl]-α-phenyl-
.ALPHA.-(2-(BIS(1-METHYLETHYL)AMINO)ETHYL)-.ALPHA.-PHENYLBENZENEACETAMIDEBENZENEACETAMIDE, .ALPHA.-(2-(BIS(1-METHYLETHYL)AMINO)ETHYL)-.ALPHA.-PHENYL-ALPHA-(2-(BIS(1-METHYLETHYL)AMINO)ETHYL)-ALPHA-PHENYLBENZENEACETAMIDERefChem:122351DTXCID20115261254-572-34-(Diisopropylamino)-2,2-diphenylbutyramide4-[di(propan-2-yl)amino]-2,2-diphenylbutanamide
Database identifiers
- CAS
39666-27-8- PubChem CID
- 38310
- DTXSID
DTXSID80192770- ChEMBL
CHEMBL4749794- UNII
- BMU3BU9ZFM
- EC Number
- 254-572-3
- Nikkaji
- J77.552E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 380
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 114 · 114-118 °C
- Boiling point
- 496.9 · 496.9±45.0 °C(Predicted)
- Density
- 1.034 · 1.034±0.06 g/cm3(Predicted)
- pka
- 15.74 · 15.74±0.50(Predicted)
- FDA UNII
- 3 BU9ZFM · BMU3BU9ZFM
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 4-(diisopropylamino)-2,2-diphenylbutyramide (EC: 254-572-3)
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…