Basic information
- Standard SMILES
CCCC(=O)Nc1cccc(O)c1- InChIKey
FMRBYRAQTPTELH-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- Butyranilide, 3'-hydroxy-
- IUPAC
- N-(3-hydroxyphenyl)butanamide
- English name
- N-(3-hydroxyphenyl)butanamide
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
21556-79-63'-HydroxybutyranilideBUTYRANILIDE, 3'-HYDROXY-BRN 2209688Butanamide, N-(3-hydroxyphenyl)-DTXSID301758913-13-00-00952 (Beilstein Handbook Reference)RefChem:331216DTXCID6098382N-(3-hydroxyphenyl)butanamideN-(3-Hydroxyphenyl)butyramideMFCD00460472
Show more names
N-(3-hydroxyphenyl)butanamide(SALTDATA: FREE)
3-butyramidophenolSCHEMBL2885788SCHEMBL5541810FMRBYRAQTPTELH-UHFFFAOYSA-NAKOS002944355BS-37579DB-188384CS-0449928
Database identifiers
- CAS
21556-79-6- PubChem CID
- 30688
- DTXSID
DTXSID30175891- Nikkaji
- J42.772A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 119 °C · 119 °C(Solv: benzene (71-43-2))
- Boiling point
- 311.75 °C · 311.75°C (rough estimate)
- Density
- 1.1248 · 1.1248 (rough estimate)
- refractive index
- 1.515 · 1.5150 (estimate)
- pka
- 9.58 · 9.58±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
5 records
Linked notes
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