N-Benzyl-4-tert-butyl-N-methylbenzamide
Basic information
- CAS
101927-58-6- Standard SMILES
CN(Cc1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1- InChIKey
KTEAKVLXVRBINR-UHFFFAOYSA-N- Molecular formula
- C19H23NO
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.17796436
Names & identifiers
- Preferred name
- N-Benzyl-4-tert-butyl-N-methylbenzamide
- IUPAC
- N-benzyl-4-tert-butyl-N-methylbenzamide
- English name
- AURORA 9576
- Molecular formula
- C19H23NO
- Molecular weight
- 281.39
Names & synonyms
N-benzyl-4-tert-butyl-N-methylbenzamide101927-58-6RefChem:829182632-273-2AURORA 9576SCHEMBL21923501STK074882AKOS001613706ST45186173SR-01000425570[4-(tert-butyl)phenyl]-N-methyl-N-benzylcarboxamideSR-01000425570-1
Show more names
SALOR-INT L173444-1EABenzamide, 4-(1,1-dimethylethyl)-N-methyl-N-(phenylmethyl)-
Database identifiers
- CAS
101927-58-6- PubChem CID
- 694646
- EC Number
- 632-273-2
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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