Basic information
- CAS
7098-21-7- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC- InChIKey
PKBVGJFKBPLWOD-UHFFFAOYSA-N- Molecular formula
- C43H88
- Average molar mass
- 605.2 g/mol
- Monoisotopic mass
- 604.68860281
Overview
tritetracontane has been reported in Terminalia chebula with data available.
Names & identifiers
- Preferred name
- Tritetracontane
- IUPAC
- tritetracontane
- English name
- Tritetracontane
- Molecular formula
- C43H88
- Molecular weight
- 605.16
Names & synonyms
Tritetracontane7098-21-7DTXSID90334942RefChem:192191DTXCID70286031PKBVGJFKBPLWOD-UHFFFAOYSA-NSCHEMBL198257SCHEMBL198258SCHEMBL198953SCHEMBL2424578SCHEMBL1112887062479D2D-191F-4EBB-85E5-9BFEAB9BB03C
Show more names
n-tritetracontane
Q18456290
Database identifiers
- CAS
7098-21-7- PubChem CID
- 522398
- DTXSID
DTXSID90334942- Nikkaji
- J125.598C
Properties
Computed structural properties
- XLogP
- 22.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 40
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Melting point
- 85.5 °C · 85.5°C
- Boiling point
- 551.64 °C · 551.64°C (estimate)
- Density
- 0.9177 · 0.9177 (estimate)
- refractive index
- 1.4755 · 1.4755 (estimate)
Chemistry & industry
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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