Basic information
- CAS
73758-39-1- Standard SMILES
CCC(CO)N=Cc1ccc(N(C)C)cc1- InChIKey
SJNKKMVAIQTQHK-UHFFFAOYSA-N- Molecular formula
- C13H20N2O
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.15756327
Names & identifiers
- Preferred name
- 2-((p-Dimethylaminobenzylidene)amino)-1-butanol
- IUPAC
- 2-[[4-(dimethylamino)phenyl]methylideneamino]butan-1-ol
- English name
- 2-[(p-Dimethylaminobenzylidene)amino]-1-butanol
- Molecular formula
- C13H20N2O
- Molecular weight
- 220.31
Names & synonyms
BRN 32677692-((p-Dimethylaminobenzylidene)amino)-1-butanol73758-39-11-BUTANOL, 2-((p-DIMETHYLAMINOBENZYLIDENE)AMINO)-2-[(p-Dimethylaminobenzylidene)amino]-1-butanol
Database identifiers
- CAS
73758-39-1- PubChem CID
- 52402
- Nikkaji
- J64.671G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 355.267 · 355.267±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.985 · 0.985±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.708 · 14.708±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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