Basic information
- Standard SMILES
CC[C@@H](C=O)N(Cc1ccccc1)Cc1ccccc1- InChIKey
QJOKRFSPLJVARG-SFHVURJKSA-N- Molecular formula
- C18H21NO
- Average molar mass
- 267.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-(dibenzylamino)butanal
- IUPAC
- (2S)-2-(dibenzylamino)butanal
Names & synonyms
(S)-2-(dibenzylamino)butanalSCHEMBL841592QJOKRFSPLJVARG-SFHVURJKSA-N(S)-2-(N,N-Dibenzylamino)-butyraldehyde
Database identifiers
- PubChem CID
- 57433110
- Nikkaji
- J1.433.249I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 247
Related reactions
11 records
Compound notes
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