1-(Azidomethyl)-4-tert-butylbenzene
Basic information
- CAS
130231-58-2- Standard SMILES
CC(C)(C)c1ccc(CN=[N+]=[N-])cc1- InChIKey
YVPUHRTVWANKKE-UHFFFAOYSA-N- Molecular formula
- C11H15N3
- Average molar mass
- 189.26 g/mol
- Monoisotopic mass
- 189.12659749
Names & identifiers
- Preferred name
- 1-(Azidomethyl)-4-tert-butylbenzene
- IUPAC
- 1-(azidomethyl)-4-tert-butylbenzene
- English name
- 4-TERT-BUTYLBENZYL AZIDE
- Molecular formula
- C11H15N3
- Molecular weight
- 0
Names & synonyms
130231-58-21-(azidomethyl)-4-tert-butylbenzeneDTXSID10370862RefChem:226035DTXCID303218964-tert-ButylbenzylazideBenzene, 1-(azidomethyl)-4-(1,1-dimethylethyl)-4-tert-Butylbenzyl azidep-tert-butylbenzazideSCHEMBL18328314YVPUHRTVWANKKE-UHFFFAOYSA-N1-(azidomethyl)-4-(t-butyl)benzene
Show more names
1-(Azidomethyl)-4-(tert-butyl)benzene1-(Azidomethyl)-4-(1,1-dimethylethyl)benzene
1-(azidomethyl)-4-tert-butyl-benzeneAKOS009157704EN300-271031F033959
Database identifiers
- CAS
130231-58-2- PubChem CID
- 2735656
- DTXSID
DTXSID10370862- Nikkaji
- J2.979.941E
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 14.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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