2,2-Dimethyl-N-phenylpropanamide
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Basic information
- CAS
6625-74-7- Standard SMILES
CC(C)(C)C(=O)Nc1ccccc1- InChIKey
LWJNWXYSLBGWDU-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 2,2-Dimethyl-N-phenylpropanamide
- IUPAC
- 2,2-dimethyl-N-phenylpropanamide
- English name
- 2,2,2-TRIMETHYLACETANILIDE
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
6625-74-7Pivalanilide2,2-Dimethyl-N-phenylpropanamideDTXSID30216455RefChem:1059132DTXCID30138946229-585-2N-PhenylpivalamideN-Pivaloylaniline2,2,2-TrimethylacetanilidePropanamide, 2,2-dimethyl-N-phenyl-MFCD00043691
Show more names
NSC 9043AI322924AI3 22924AI3-22924TIMTEC-BB SBB007803Pivaloylaminobenzene
2,2-dimethyl-N-phenyl-propanamideTERT-VALERANILIDEEINECS 229-585-2SCHEMBL83110FS-5733CS-0036108W11599SR-01000946765
Database identifiers
- CAS
6625-74-7- PubChem CID
- 81103
- DTXSID
DTXSID30216455- EC Number
- 229-585-2
- Nikkaji
- J113.626G
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Experimental & physicochemical properties
LogP1.99
Physicochemical properties
- Melting point
- 138 · 138-139℃
- Boiling point
- 323.5 · 323.5±11.0 °C(Predicted)
- Density
- 1.029 · 1.029
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Ethyl Acetate, Methanol
- pka
- 15.12 · 15.12±0.70(Predicted)
- form
- Solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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)
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
UsesAn intermediate for the synthesis of Norharmane.
Related reactions
3 records
Compound notes
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