CAS 149805-92-5 6-(Dimethylamino)pyridine-3-carbaldehyde (HCID 11240577)

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Basic information

CAS: 149805-92-5
Standard SMILES: CN(C)c1ccc(C=O)cn1
InChIKey: IRDPUZWWWIDFQX-UHFFFAOYSA-N
Molecular formula: C8H10N2O
Average molar mass: 150.18 g/mol
Monoisotopic mass: 150.07931294

Names & identifiers

Preferred name: 6-(Dimethylamino)pyridine-3-carbaldehyde
IUPAC: 6-(dimethylamino)pyridine-3-carbaldehyde
English name: 6-(Dimethylamino)nicotinaldehyde
Molecular formula: C8H10N2O
Molecular weight: 150.18

Names & synonyms

6-(dimethylamino)pyridine-3-carbaldehydeRefChem:539700840-999-8149805-92-56-(DIMETHYLAMINO)NICOTINALDEHYDE2-(N,N-DIMETHYLAMINO)PYRIDINE-5-CARBOXALDEHYDEMFCD082721003-PYRIDINECARBOXALDEHYDE, 6-(DIMETHYLAMINO)-6-(Dimethylamino)pyridine-3-carboxaldehyde2-(Dimethylamino)-5-formylpyridine6-(DIMETHYLAMINO)-3-PYRIDINECARBOXALDEHYDESCHEMBL934755

Show more names

6-(N,N-DiMethylaMino)nicotinaldehyde6-(dimethylamino)nicotinaldehyde(SALTDATA: FREE)3-Pyridinecarboxaldehyde, 6-(dimethylamino)- (9CI)6-(Dimethylamino)pyridine-3-carboxaldehyde, 2-(Dimethylamino)-5-formylpyridine

SCHEMBL305927972-dimethylamino-5-formylpyridineDTXSID40459715IRDPUZWWWIDFQX-UHFFFAOYSA-N6-(dimethyl-amino)-nicotinaldehydeZFA80592SBB086715AKOS005072130

Database identifiers

CAS: 149805-92-5
PubChem CID: 11240577

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 33.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 57 · 57-59°
Boiling point: 286.2 · 286.2±25.0 °C(Predicted)
Density: 1.135 · 1.135±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
pka: 5.44 · 5.44±0.10(Predicted)
Appearance: Light yellow to yellow Solid
InChI: 1S/C8H10N2O/c1-10(2)8-4-3-7(6-11)5-9-8/h3-6H,1-2H3
InChIKey: IRDPUZWWWIDFQX-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(C=O)cn1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 280 · P280

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.