Basic information
- CAS
17085-91-5- Standard SMILES
CC(C)(C)c1cccc2ccccc12- InChIKey
SPLGZANLVHBDCC-UHFFFAOYSA-N- Molecular formula
- C14H16
- Average molar mass
- 184.28 g/mol
- Monoisotopic mass
- 184.12520051
Names & identifiers
- Preferred name
- 1-(Tert-butyl)naphthalene
- IUPAC
- 1-tert-butylnaphthalene
- English name
- 1-tert-butylnaphthalene
- Molecular formula
- C14H16
- Molecular weight
- 184.28
Names & synonyms
17085-91-51-(TERT-BUTYL)NAPHTHALENEDTXSID20168954RefChem:1054768DTXCID40914451-tert-Butylnaphthalene1-(1,1-Dimethylethyl)naphthaleneNaphthalene, 1-tert-butyl-Naphthalene, (1,1-dimethylethyl)-Naphthalene, 1-(1,1-dimethylethyl)-.alpha.-tert-Butylnaphthalene26998-30-1
Show more names
NSC1224561-tert.-Butylnaphtalene1-tert-butyl-naphthaleneI+/--tert-butylnaphthaleneSCHEMBL252402SCHEMBL1371539SCHEMBL1371595SCHEMBL2249219
Database identifiers
- CAS
17085-91-5- PubChem CID
- 28252
- DTXSID
DTXSID20168954- Nikkaji
- J99.430H
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- -11 °C · -11°C
- Boiling point
- 278.85 °C · 278.85°C
- Density
- 0.9888 · 0.9888
- refractive index
- 1.5842 · 1.5842
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
郑州海阔光电材料有限公司0371-67759225 13526468238 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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