Basic information
- CAS
4291-80-9- Standard SMILES
CCCC1CCCC(C)C1- InChIKey
HFHJBWYDQAWSIA-UHFFFAOYSA-N- Molecular formula
- C10H20
- Average molar mass
- 140.27 g/mol
- Monoisotopic mass
- 140.15650064
Names & identifiers
- Preferred name
- 1-Methyl-3-propylcyclohexane
- IUPAC
- 1-methyl-3-propylcyclohexane
- English name
- Cyclohexane,1-Methyl-3-prop
- Molecular formula
- C10H20
- Molecular weight
- 140.27
Names & synonyms
1-Methyl-3-propylcyclohexaneRefChem:434256Cyclohexane, 1methyl3propylCyclohexane, 1-methyl-3-propyl-4291-80-91-Methyl-3-propyl-cyclohexanecis-1-methyl-3-propylcyclohexaneSCHEMBL132919SCHEMBL2336951SCHEMBL2677589SCHEMBL2762815SCHEMBL4946504
Show more names
Cyclohexane Impurity 3Cyclohexane,1-Methyl-3-prop
SCHEMBL5678744SCHEMBL93429391-Methyl-3-propylcyclohexane #SCHEMBL11903768DTXSID30871068HFHJBWYDQAWSIA-UHFFFAOYSA-NLMFA11000654CYCLOHEXANE,1-METHYL-3-PROPYL-
Database identifiers
- CAS
4291-80-9- PubChem CID
- 138178
- DTXSID
DTXSID30871068- Nikkaji
- J142.847K
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 86
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -84.33 °C · -84.33°C (estimate)
- Boiling point
- 172.55 °C · 172.55°C
- Density
- 0.7895 · 0.7895
- refractive index
- 1.4377 · 1.4377
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Cyclohexane.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Chemistry & industry
Suppliers1 total
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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