1-Phenylethyl azide
Basic information
- CAS
32366-25-9- Standard SMILES
CC(N=[N+]=[N-])c1ccccc1- InChIKey
KOFFFKMEMKRWMT-UHFFFAOYSA-N- Molecular formula
- C8H9N3
- Average molar mass
- 147.18 g/mol
- Monoisotopic mass
- 147.0796473
Names & identifiers
- Preferred name
- 1-Phenylethyl azide
- IUPAC
- 1-azidoethylbenzene
- English name
- 1-Azidoethylbenzene
- Molecular weight
- 0
Names & synonyms
1-Phenylethyl azideBenzene, (1-azidoethyl)-1-Azido-1-phenylethane32366-25-9DTXSID40341065RefChem:76997DTXCID60292146KOFFFKMEMKRWMT-UHFFFAOYSA-N(1-azidoethyl)benzeneNSC-30366alpha-methylbenzyl azidemethyl benzyl azide
Show more names
1-Azidoethylbenzene
83EC5FCB6ESCHEMBL13983512SCHEMBL17964199SCHEMBL27463039NSC30366MFCD19578674AKOS013441157
Database identifiers
- CAS
32366-25-9- PubChem CID
- 569726
- DTXSID
DTXSID40341065- UNII
- 83EC5FCB6E
- Nikkaji
- J116.943B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 14.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 114 °C · 114 °C(Press: 50 Torr)
- Density
- 1.0321 g/cm3 · 1.0321 g/cm3(Temp: 25 °C)
- form
- solid
- InChI
- 1S/C8H9N3/c1-7(10-11-9)8-5-3-2-4-6-8/h2-7H,1H3
- InChIKey
- KOFFFKMEMKRWMT-UHFFFAOYSA-N
- SMILES
- [N-]=[N+]=NC(C1=CC=CC=C1)C
- UNSPSC Code
- 12352200 · 12352200
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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