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Basic information
- CAS
148315-31-5- Standard SMILES
Cc1ccc(C)c(C(=O)NC(C)(C)C)c1- InChIKey
ZIRFIVHCFGYUQX-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- N-tert-butyl-2,5-dimethylbenzamide
- IUPAC
- N-tert-butyl-2,5-dimethylbenzamide
- English name
- N-tert-butyl-2,5-dimethylbenzamide
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
N-tert-butyl-2,5-dimethylbenzamide148315-31-5Benzamide, N-(1,1-dimethylethyl)-2,5-dimethyl-SCHEMBL4599083CHEMBL4947066DTXSID40358936ZIRFIVHCFGYUQX-UHFFFAOYSA-NN-tert-butyl-2,5-dimethyl-benzamideSTK203889AKOS003358273N-(tert-Butyl)-2,5-dimethylbenzamideDA-10068
Database identifiers
- CAS
148315-31-5- PubChem CID
- 925429
- DTXSID
DTXSID40358936- ChEMBL
CHEMBL4947066
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 296.7 · 296.7±29.0 °C(Predicted)
- Density
- 0.968 · 0.968±0.06 g/cm3(Predicted)
- pka
- 15.5 · 15.50±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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