Basic information
- CAS
39836-21-0- Standard SMILES
CCCCCCCCC=CCCCCCCCCCCC- InChIKey
NVBODECJSYHQIE-UHFFFAOYSA-N- Molecular formula
- C21H42
- Average molar mass
- 294.6 g/mol
- Monoisotopic mass
- 294.32865134
Names & identifiers
- Preferred name
- cis-9-Heneicosene
- IUPAC
- henicos-9-ene
- English name
- CIS-9-HENEICOSENE
- Molecular formula
- C21H42
- Molecular weight
- 294.56
Names & synonyms
Henicos-9-enecis-9-Heneicosene39836-21-0SCHEMBL3681338SCHEMBL3918139SCHEMBL5984030SCHEMBL25280650DTXSID70403504(Z)-9-Heneicosene9-Heneicosene, (9Z)-CIS-9-HENEICOSENE APPROX. 97%CIS-9-HENEICOSENE ISO 9001：2015 REACH
Database identifiers
- CAS
39836-21-0- PubChem CID
- 4460170
- DTXSID
DTXSID70403504
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 69 °C · 69 °C(Press: 0.015 Torr)
- Density
- 0.7984 g/cm3 · 0.7984 g/cm3(Temp: 22 °C)
- refractive index
- 20 · n20/D 1.45(lit.)
- Flash point
- 144 °F · 144 °F
- storage temp.
- -20 °C · -20°C
- LogP
- 11.396 · 11.396 (est)
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
Chemistry & industry
Suppliers6 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
BOC Sciences[email protected]
上海凌凯科技股份有限公司021-58950110 13124863828 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Related reactions
3 records
Compound notes
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