Basic information
- CAS
96765-59-2- Standard SMILES
O=CC1(c2ccccc2)CCN(CCN(Cc2ccccc2)Cc2ccccc2)CC1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
CSLRKKXNELWWAD-UHFFFAOYSA-N- Molecular formula
- C40H38N8O15
- Average molar mass
- 870.8 g/mol
- Monoisotopic mass
- 870.24566254
Names & identifiers
- Preferred name
- 4-Piperidinecarboxaldehyde, 1-(2-(dibenzylamino)ethyl)-4-phenyl-, picrate (1:2)
- IUPAC
- 1-[2-(dibenzylamino)ethyl]-4-phenylpiperidine-4-carbaldehyde;bis(2,4,6-trinitrophenol)
Names & synonyms
3071 I.S.4-Piperidinecarboxaldehyde, 1-(2-(dibenzylamino)ethyl)-4-phenyl-, picrate (1:2)96765-59-21-(2-(Dibenzylamino)ethyl)-4-phenyl-4-piperidinecarboxaldehyde picrate (1:2)DTXSID40242503Isonipecotaldehyde, 1-(2-(dibenzylamino)ethyl)-4-phenyl-, dipicrateRefChem:295601DTXCID001649941-[2-(Dibenzylamino)ethyl]-4-phenylpiperidine-4-carbaldehyde--2,4,6-trinitrophenol (1/2)
Database identifiers
- CAS
96765-59-2- PubChem CID
- 24842575
- DTXSID
DTXSID40242503
Properties
Computed structural properties
- Topological polar surface area
- 339 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 9
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 781
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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