Basic information
- CAS
5048-44-2- Standard SMILES
C=CCCCCCCCCCC#N- InChIKey
JCXSQWLYMCCGSN-UHFFFAOYSA-N- Molecular formula
- C12H21N
- Average molar mass
- 179.3 g/mol
- Monoisotopic mass
- 179.16739967
Names & identifiers
- Preferred name
- Dodec-11-enenitrile
- IUPAC
- dodec-11-enenitrile
- English name
- dodec-11-enenitrile
- Molecular formula
- C12H21N
- Molecular weight
- 179.30184
Names & synonyms
Dodec-11-enenitrile5048-44-211-dodecenenitrileMFCD27966035EINECS 225-746-6QL6CSN4LXUSCHEMBL3119157DTXSID10198503JCXSQWLYMCCGSN-UHFFFAOYSA-NNS00044565DKSI137
Database identifiers
- CAS
5048-44-2- PubChem CID
- 78746
- DTXSID
DTXSID10198503- UNII
- QL6CSN4LXU
- EC Number
- 225-746-6
- Nikkaji
- J132.572H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 170 °C · 170°C / 25
- Flash point
- 110 °C · >110°C (>230°F)
- Specific Gravity
- 0.83 · 0.83
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海德凯纳高新材料有限公司18503880813 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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