Basic information
- CAS
36937-92-5- Standard SMILES
N#CC(C#N)=Cc1ccc(C#N)cc1- InChIKey
UUKLIKUNCGVVHN-UHFFFAOYSA-N- Molecular formula
- C11H5N3
- Average molar mass
- 179.18 g/mol
- Monoisotopic mass
- 179.04834717
Names & identifiers
- Preferred name
- 2-((4-Cyanophenyl)methylene)propanedinitrile
- IUPAC
- 2-[(4-cyanophenyl)methylidene]propanedinitrile
- English name
- 2-(4-Cyanobenzylidene)malononitrile
- Molecular weight
- 0
Names & synonyms
36937-92-5MALONONITRILE, (p-CYANOBENZYLIDENE)-DTXSID101904262-((4-Cyanophenyl)methylene)propanedinitrile2-[(4-cyanophenyl)methylene]propanedinitrileRefChem:1060532DTXCID201129174-Cyanobenzylidenemalononitrile2-(4-Cyanobenzylidene)malononitrileNSC6373402-[(4-cyanophenyl)methylidene]propanedinitrileNSC 98454
Show more names
p-Cyanobenzylidenemalononitrile
BRN 2089715NSC98454Tyrphostin deriv. 104-09-00-03766 (Beilstein Handbook Reference)CHEMBL57663BDBM4279SCHEMBL6824611UUKLIKUNCGVVHN-UHFFFAOYSA-N
Database identifiers
- CAS
36937-92-5- PubChem CID
- 37583
- DTXSID
DTXSID10190426- ChEMBL
CHEMBL57663- Nikkaji
- J147.621A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 352
Chemistry & industry
Suppliers2 total
上海拉曼达医药科技有限公司021-19921844 19921844785 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…