4-Azidoretinol
Basic information
- CAS
92484-22-5- Standard SMILES
CC1=C(/C=C/C(C)=C\C=C\C(C)=C/CO)C(C)(C)CCC1N=[N+]=[N-]- InChIKey
JASRSAFKWLZHEX-RMWYGNQTSA-N- Molecular formula
- C20H29N3O
- Average molar mass
- 327.5 g/mol
- Monoisotopic mass
- 327.23106256
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-Azidoretinol
- IUPAC
- (2Z,4E,6Z,8E)-9-(3-azido-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
- English name
- 4-azidoretinol
- Molecular formula
- C20H29N3O
- Molecular weight
- 327.46
Names & synonyms
4-Azidoretinol92484-22-5Retinol, 4-azido-, (SP-4-2)-RefChem:97948(2Z,4E,6Z,8E)-9-(3-azido-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
Database identifiers
- CAS
92484-22-5- PubChem CID
- 6439897
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 34.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 642
Physicochemical properties
- pka
- 14.094 · 14.094±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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