9-(Dicyanovinyl)julolidine
Basic information
- CAS
58293-56-4- Standard SMILES
N#CC(C#N)=CC1=CCN2CCC=C3CCCC1=C32- InChIKey
YHKFSHOHLREQMZ-UHFFFAOYSA-N- Molecular formula
- C16H15N3
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.12659749
Overview
structure given in first source
Names & identifiers
- Preferred name
- 9-(Dicyanovinyl)julolidine
- IUPAC
- 2-(1-azatricyclo[7.3.1.05,13]trideca-3,5(13),9-trien-4-ylmethylidene)propanedinitrile
- English name
- DCVJ
- Molecular formula
- C16H15N3
- Molecular weight
- 249.31
Names & synonyms
9-(Dicyanovinyl)julolidineRefChem:1077029-DCVJBRN 02407102-(9-Julolidyl)-1,1-dicyanoethyleneSCHEMBL30790802(2,3,6,7-Tetrahydro-1H,5H-benzo(ij)quinolizin-9-ylmethylene)malononitrileNSC 160064MALONONITRILE, (2,3,6,7-TETRAHYDRO-1H,5H-BENZO(ij)QUINOLIZIN-9-YLMETHYLENE)-5-22-04-00276 (Beilstein Handbook Reference)DCVJ9-(2
Show more names
4-(Dicyanovinyl)julolidine9-(2,2-DICYANOVINYL)JULOLIDINE9-julolidinylmethylenemalononitrile9-(2,2-Dicyanovinyl)julolidine [DCVJ]Acetyl coenzyme A Trilithium salt ≥4-Hydroxy-4-pyrid-4-yl(piperidine) &ge
Database identifiers
- CAS
58293-56-4- PubChem CID
- 42689
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 622
Physicochemical properties
- Boiling point
- 503.8 · 503.8±50.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- DMSO: soluble
- pka
- 2.42 · 2.42±0.20(Predicted)
- form
- A crystalline solid
- color
- Light brown to brown
- BRN
- 413882 · 413882
- InChI
- 1S/C16H15N3/c17-10-13(11-18)7-12-8-14-3-1-5-19-6-2-4-15(9-12)16(14)19/h7-9H,1-6H2
- InChIKey
- LROAUBRDKLVBCP-UHFFFAOYSA-N
- SMILES
- N#C\C(=C/c1cc2CCCN3CCCc(c1)c23)C#N
- UNSPSC Code
- 12352108 · 12352108
- NACRES
- 32 · NA.32
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- OO4445000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses9-(2,2-Dicyanovinyl)julolidine is a fluorescent probe used for binding to proteins.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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