(E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide

HCID 705673

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Basic information

CAS: 1164526-52-6
Standard SMILES: CN(C)/C=C(\C#N)C(=O)Nc1ccc(F)cc1
InChIKey: VFNBJZDUYCFFLY-CMDGGOBGSA-N
Molecular formula: C12H12FN3O
Average molar mass: 233.24 g/mol
Monoisotopic mass: 233.09644018

Names & identifiers

Preferred name: (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide
IUPAC: (E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)prop-2-enamide
English name: (E)-2-Cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide
Molecular formula: C12H12FN3O
Molecular weight: 233.24

Names & synonyms

1164526-52-6(2E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)prop-2-enamide(E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide(E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)prop-2-enamide(E)-2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)acrylamideMFCD00106785SMR000179637MLS000327110CHEMBL1307605DTXSID301174823HMS2289D21AKOS005083632

Show more names

2-Propenamide, 2-cyano-3-(dimethylamino)-N-(4-fluorophenyl)-, (2E)-

CCG-233571CS-03630551R-0152(2E)-2-Cyano-3-(dimethylamino)-N-(4-fluorophenyl)-2-propenamide

Database identifiers

CAS: 1164526-52-6
PubChem CID: 705673
DTXSID: DTXSID301174823
ChEMBL: CHEMBL1307605

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 56.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 348

Physicochemical properties

Boiling point: 487.3 · 487.3±45.0 °C(Predicted)
Density: 1.248 · 1.248±0.06 g/cm3(Predicted)
pka: 10 · 10.00±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2926907090 · 2926907090

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

hs_code: 2926907090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Suppliers3 total

Ryan Scientific, Inc.[email protected]

BIONET-INTER[email protected]

MATRIX[email protected]

Related reactions

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