N-(3,5-Dimethylphenyl)acetamide
Basic information
- CAS
2050-45-5- Standard SMILES
CC(=O)Nc1cc(C)cc(C)c1- InChIKey
HFAYQHIHIBTMBI-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- N-(3,5-Dimethylphenyl)acetamide
- IUPAC
- N-(3,5-dimethylphenyl)acetamide
- English name
- N-(3,5-Dimethyl-phenyl)-acetamide
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
N-(3,5-Dimethylphenyl)acetamide2050-45-5Acetamide, N-(3,5-dimethylphenyl)-3',5'-AcetoxylidideDNL9S5KW3ANSC-200DTXSID10174488RefChem:1091123DTXCID1096979N-(3,5-dimethyl-phenyl)-acetamideN-Acetyl-3,5-dimethylaniline3,5-DIMETHYLACETANILIDE
Show more names
NSC200UNII-DNL9S5KW3ASCHEMBL849875SCHEMBL7438500SCHEMBL75297443,5-DMANSC 200CAA05045
Database identifiers
- CAS
2050-45-5- PubChem CID
- 74903
- DTXSID
DTXSID10174488- UNII
- DNL9S5KW3A
- Nikkaji
- J135.078A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.17
Physicochemical properties
- Melting point
- 141.5 · 141.5-142.5 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 305.3 · 305.3±11.0 °C(Predicted)
- Density
- 1.052 · 1.052±0.06 g/cm3(Predicted)
- pka
- 15.13 · 15.13±0.70(Predicted)
- FDA UNII
- 9 S5KW3A · DNL9S5KW3A
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
13 records
Compound notes
Loading…