Basic information
- CAS
55437-65-5- Standard SMILES
C#CCN(C)C/C=C(\C)CC/C=C(/C)CCC=C(C)C- InChIKey
LGXNHBTVFPAZSF-ZUQSFNSISA-N- Molecular formula
- C19H31N
- Average molar mass
- 273.5 g/mol
- Monoisotopic mass
- 273.24564999
Names & identifiers
- Preferred name
- 2,6,10-Dodecatrien-1-amine, N,3,7,11-tetramethyl-N-2-propynyl-, (E,Z)-
- IUPAC
- (2E,6Z)-N,3,7,11-tetramethyl-N-prop-2-ynyldodeca-2,6,10-trien-1-amine
- English name
- Brn 2370341
- Molecular formula
- C19H31N
- Molecular weight
- 273.46
Names & synonyms
55437-65-52,6,10-Dodecatrien-1-amine, N,3,7,11-tetramethyl-N-2-propynyl-, (E,Z)-RefChem:1060181BRN 2370341(E,Z)-N,3,7,11-Tetramethyl-N-2-propynyl-2,6,10-dodecatrien-1-amine2,6,10-Dodecatrien-1-amine, N,3,7,11-tetramethyl-N-2-propynyl-, (E,Z)- (9CI)
Database identifiers
- CAS
55437-65-5- PubChem CID
- 6446212
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 358.8 · 358.8±30.0 °C(Predicted)
- Density
- 0.872 · 0.872±0.06 g/cm3(Predicted)
- pka
- 6.57 · 6.57±0.50(Predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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