2-(C-methyl-N-propylcarbonimidoyl)phenol
Basic information
- CAS
58308-13-7- Standard SMILES
CCCN=C(C)c1ccccc1O- InChIKey
YVFXJXHNKBAXQW-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Overview
See also: Alpha-methyl-alpha-(propylimino)-O-cresol (annotation moved to).
Names & identifiers
- Preferred name
- 2-(C-methyl-N-propylcarbonimidoyl)phenol
- IUPAC
- 2-(C-methyl-N-propylcarbonimidoyl)phenol
- English name
- (6Z)-6-(1-propylaminoethylidene)cyclohexa-2,4-dien-1-one
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
58308-13-7NSC211435SCHEMBL16627917AKOS024336925NSC-2114352-{(1Z)-N-[(Z)-propyl]ethanimidoyl}phenolALPHA-METHYL-ALPHA-(PROPYLIMINO)-O-CRESOL(6Z)-6-(1-propylaminoethylidene)cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
58308-13-7- PubChem CID
- 309237
- Nikkaji
- J2.286.165D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 85 °C · 85 °C(Solvent: Ethyl acetate; Chloroform)
- Boiling point
- 262.07 · 262.070±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.977 · 0.977±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.896 · 12.896±0.50(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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