Basic information
- CAS
101756-39-2- Standard SMILES
N#CC(C#N)CN(C1=NCCO1)c1cccc2c1CCCC2- InChIKey
YSCCRNNFOIYVEK-UHFFFAOYSA-N- Molecular formula
- C17H18N4O
- Average molar mass
- 294.35 g/mol
- Monoisotopic mass
- 294.14806121
Names & identifiers
- Preferred name
- Malononitrile, (N-(2-oxazolin-2-yl)-N-(5,6,7,8-tetrahydro-1-naphthyl)aminomethyl)-
- IUPAC
- 2-[[4,5-dihydro-1,3-oxazol-2-yl(5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl]propanedinitrile
Names & synonyms
Malononitrile, (N-(2-oxazolin-2-yl)-N-(5,6,7,8-tetrahydro-1-naphthyl)aminomethyl)-101756-39-2DTXSID00144170N-(2-Oxazolin-2-yl)-N-(5,6,7,8-tetrahydro-1-naphthyl)aminomethylmalononitrileRefChem:351884DTXCID5066661NSC160181NSC-160181{[(4,5-Dihydro-1,3-oxazol-2-yl)(5,6,7,8-tetrahydronaphthalen-1-yl)amino]methyl}propanedinitrile
Database identifiers
- CAS
101756-39-2- PubChem CID
- 58858
- DTXSID
DTXSID00144170- Nikkaji
- J147.648C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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