1,4-Piperazinediacetonitrile
Basic information
- CAS
5623-99-4- Standard SMILES
N#CCN1CCN(CC#N)CC1- InChIKey
GWCYWDOCHPHBRW-UHFFFAOYSA-N- Molecular formula
- C8H12N4
- Average molar mass
- 164.21 g/mol
- Monoisotopic mass
- 164.10619638
Names & identifiers
- Preferred name
- 1,4-Piperazinediacetonitrile
- IUPAC
- 2-[4-(cyanomethyl)piperazin-1-yl]acetonitrile
- English name
- (4-CYANOMETHYL-PIPERAZIN-1-YL)-ACETONITRILE
- Molecular formula
- C8H12N4
- Molecular weight
- 164.21
Names & synonyms
5623-99-41,4-Piperazinediacetonitrile2-[4-(cyanomethyl)piperazin-1-yl]acetonitrile1,4-Bis(cyanomethyl)piperazine2,2'-(piperazine-1,4-diyl)diacetonitrileNSC-869642-[4-(Cyanomethyl)piperazin-1-yl]acetonitrile;(4-Cyanomethyl-piperazin-1-yl)-acetonitrile2-(4-(CYANOMETHYL)PIPERAZIN-1-YL)ACETONITRILENSC86964(piperazine-1,4-diyl)diacetonitrileMildronate Impurity 14
Show more names
2-[4-(cyanomethyl)piperazin-1-yl]ethanenitrile
FEV6J8YH66NCIOpen2_001157SCHEMBL2576487DTXSID10293042GWCYWDOCHPHBRW-UHFFFAOYSA-NFAA62399MFCD01895702NSC 86964
Database identifiers
- CAS
5623-99-4- PubChem CID
- 258199
- DTXSID
DTXSID10293042- UNII
- FEV6J8YH66
- Nikkaji
- J29.036J
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- solubility
- soluble in Chloroform
- form
- Solid
- color
- White to Off-White
- 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
Applications
Uses1,4-Piperazinediacetonitrile is a chemical reagent used in the synthesis of DNA specific fluorescent symmetric dimeric bisbenzimidazoles. Also used in the synthesis of novel bisnapthalimides and their development as new DNA topoisomarase II inhibitors.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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