Basic information
- CAS
13886-04-9- Standard SMILES
CC(=O)Nc1ccc(O)c(CN(C)C)c1- InChIKey
IUVBAHXLBOTWMB-UHFFFAOYSA-N- Molecular formula
- C11H16N2O2
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.12117776
Names & identifiers
- Preferred name
- m-Acetotoluidide, alpha-(dimethylamino)-4'-hydroxy-
- IUPAC
- N-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]acetamide
- English name
- N-[3-[(Dimethylamino)methyl]-4-hydroxyphenyl]acetamide
- Molecular formula
- C11H16N2O2
- Molecular weight
- 208.26
Names & synonyms
13886-04-9m-ACETOTOLUIDIDE, alpha-(DIMETHYLAMINO)-4'-HYDROXY-4MW4Y482KMalpha-(Dimethylamino)-4'-hydroxy-m-acetotoluidideNSC-85488DTXSID50160820RefChem:1088671DTXCID2083311N-[3-[(Dimethylamino)methyl]-4-hydroxyphenyl]acetamideNSC 85488N-(3-((dimethylamino)methyl)-4-hydroxyphenyl)acetamideN-{3-[(DIMETHYLAMINO)METHYL]-4-HYDROXYPHENYL}ACETAMIDE
Show more names
AcetaMide, N-[3-[(diMethylaMino)Methyl]-4-hydroxyphenyl]-
BRN 2808683NSC854883-(Dimethylaminomethyl)-4-hydroxy acetanilideNCIOpen2_004897UNII-4MW4Y482KMorb1985727m-Acetotoluidide, .alpha.-(dimethylamino)-4'-hydroxy-SCHEMBL28837437
Database identifiers
- CAS
13886-04-9- PubChem CID
- 26321
- DTXSID
DTXSID50160820- UNII
- 4MW4Y482KM
- Nikkaji
- J55.065E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 117 °C · 117 °C
- Boiling point
- 383.5 · 383.5±37.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- pka
- 8.56 · 8.56±0.48(Predicted)
- FDA UNII
- 4 MW4Y482KM · 4MW4Y482KM
Chemistry & industry
Suppliers2 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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