Basic information
- CAS
16665-89-7- Standard SMILES
CCc1cccc(CC)c1NC(C)=O- InChIKey
SNPZDXACCGIJNK-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101416
Overview
N-Acetyl-2,6-diethylaniline is an anilide and a member of acetamides.
Names & identifiers
- Preferred name
- 2,6-Diethylacetanilide
- IUPAC
- N-(2,6-diethylphenyl)acetamide
- English name
- 2,6-Diethyl-acetanilide
- Molecular formula
- C12H17NO
- Molecular weight
- 191.27
Names & synonyms
N-(2,6-Diethylphenyl)acetamide16665-89-72,6-DiethylacetanilideAcetanilide, 2',6'-diethyl-DTXSID90168148RefChem:1060248DTXCID4090639Acetamide, N-(2,6-diethylphenyl)-N-Acetyl-2,6-diethylanilineCCRIS 72572',6'-DiethylacetanilideMaybridge3_004511
Show more names
2,6-Diethylphenylacetamide
2',6'-Diethyl-AcetanilideSCHEMBL4338453SCHEMBL43384572,6-DIETHYL-ACETANILIDECHEBI:169671HMS1443N01N-(2,6-Diethylphenyl)-AcetamideMFCD00831166
Database identifiers
- CAS
16665-89-7- PubChem CID
- 85534
- DTXSID
DTXSID90168148- ChEBI
CHEBI:169671- Nikkaji
- J670.928A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
LogP1.85
Melting Point141 - 142 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 141 · 141-142 °C(Solv: toluene (108-88-3))
- Boiling point
- 338.2 · 338.2±31.0 °C(Predicted)
- Density
- 1.016 · 1.016±0.06 g/cm3(Predicted)
- pka
- 15.14 · 15.14±0.70(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers3 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Additional notes
DefinitionChEBI: N-Acetyl-2,6-diethylaniline is a member of acetamides and an anilide.
Related reactions
2 records
Compound notes
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