5-(Dimethylamino)-2-hydroxybenzaldehyde

HCID 12934646

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Basic information

CAS: 67868-63-7
Standard SMILES: CN(C)c1ccc(O)c(C=O)c1
InChIKey: FXHYHSHSEXIDFE-UHFFFAOYSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol
Monoisotopic mass: 165.07897859

Names & identifiers

Preferred name: 5-(Dimethylamino)-2-hydroxybenzaldehyde
IUPAC: 5-(dimethylamino)-2-hydroxybenzaldehyde
English name: 5-Dimethylamino-2-hydroxybenzaldehyde
Molecular formula: C9H11NO2
Molecular weight: 165.19

Names & synonyms

5-(dimethylamino)-2-hydroxybenzaldehyde67868-63-7Benzaldehyde, 5-(dimethylamino)-2-hydroxy-MFCD110357615-Dimethylamino-2-hydroxybenzaldehyde5-(Dimethylamino)salicylaldehydeSCHEMBL4401250SCHEMBL29954002DTXSID00513362FXHYHSHSEXIDFE-UHFFFAOYSA-NMB090285-(dimethylamino)-2-hydroxy-benzaldehyde

Show more names

DA-41718SY5607735-(N,N-dimethylamino)-2-hydroxybenzaldehydeCS-0370356G66181F758737

Database identifiers

CAS: 67868-63-7
PubChem CID: 12934646
DTXSID: DTXSID00513362

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: 32 · 32-33°C
Boiling point: 297.1 · 297.1±30.0 °C(Predicted)
Density: 1.201 · 1.201±0.06 g/cm3(Predicted)
pka: 8.37 · 8.37±0.18(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
HS Code: 2922390090 · 2922390090

Safety & regulation

Safety data

hs_code: 2922390090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501