Basic information
- CAS
40029-37-6- Standard SMILES
N#C/C(=C\c1ccncc1)C(N)=O- InChIKey
OJUGYMUOPZHNKD-VMPITWQZSA-N- Molecular formula
- C9H7N3O
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.05891186
Names & identifiers
- Preferred name
- (2E)-2-cyano-3-(pyridin-4-yl)prop-2-enamide
- IUPAC
- (E)-2-cyano-3-pyridin-4-ylprop-2-enamide
- English name
- 2-Cyano-3-(4-pyridinyl)acrylamide
- Molecular formula
- C9H7N3O
- Molecular weight
- 173.17
Names & synonyms
40029-37-6(2E)-2-cyano-3-(pyridin-4-yl)prop-2-enamideMFCD002152442-cyano-3-(4-pyridinyl)acrylamide(E)-2-cyano-3-pyridin-4-ylprop-2-enamideMLS000692165CHEMBL1543397DTXSID801252250HMS2645M05SBB088764AKOS003242306SMR000333840
Show more names
BUTTPARK 60\40-022-Propenamide, 2-cyano-3-(4-pyridinyl)-, (E)- (9CI)
(E)-2-cyano-3-(4-pyridyl)prop-2-enamide(2E)-2-cyano-3-(4-pyridyl)prop-2-enamide2-Cyano-3-(4-pyridinyl)-(E)-2-propenamideEN300-220736312A-023Z2582847326
Database identifiers
- CAS
40029-37-6- PubChem CID
- 696291
- DTXSID
DTXSID801252250- ChEMBL
CHEMBL1543397
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 449.8 · 449.8±45.0 °C(Predicted)
- Density
- 1.291 · 1.291±0.06 g/cm3(Predicted)
- pka
- 12.87 · 12.87±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
BUTTPARK[email protected]
Ryan Scientific, Inc.[email protected]
BIONET-INTER[email protected]
MATRIX[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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