Basic information
- CAS
1985-57-5- Standard SMILES
CCCC(C)(C)c1ccccc1- InChIKey
PIUUDKDOAUICQP-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- (1,1-Dimethylbutyl)benzene
- IUPAC
- 2-methylpentan-2-ylbenzene
- English name
- (1,1-dimethylbutyl)benzene
- Molecular formula
- C12H18
- Molecular weight
- 162.27
Names & synonyms
(1,1-DIMETHYLBUTYL)BENZENEBenzene, (1,1-dimethylbutyl)-2-Methyl-2-phenylpentaneDTXSID10173597NSC 245057RefChem:68079DTXCID3096088PIUUDKDOAUICQP-UHFFFAOYSA-N1985-57-52-methylpentan-2-ylbenzene(2-Methylpentan-2-yl)benzeneUPT9GM62YT
Show more names
Amorolfine Impurity 28
NSC-245057NSC245057UNII-UPT9GM62YTBenzene,1-dimethylbutyl)-SCHEMBL398002SCHEMBL575234SCHEMBL814840SCHEMBL1551156
Database identifiers
- CAS
1985-57-5- PubChem CID
- 16136
- DTXSID
DTXSID10173597- UNII
- UPT9GM62YT
- Nikkaji
- J114.045K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -25.43 °C · -25.43°C (estimate)
- Boiling point
- 205.5 °C · 205.5°C
- Density
- 0.8796 · 0.8796
- refractive index
- 1.4955 · 1.4955
- FDA UNII
- 9 GM62YT · UPT9GM62YT
Chemistry & industry
Suppliers3 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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