Agn-PC-0jtowl
Basic information
- CAS
55649-56-4- Standard SMILES
CCC=CC=CCC1COC(C)CN1- InChIKey
MHQRVZYGKHUXJD-UHFFFAOYSA-N- Molecular formula
- C12H21NO
- Average molar mass
- 195.3 g/mol
- Monoisotopic mass
- 195.16231429
Names & identifiers
- Preferred name
- Agn-PC-0jtowl
- IUPAC
- 5-hepta-2,4-dienyl-2-methylmorpholine
- English name
- 5-(2,4-Heptadienyl)-2-methylmorpholine
- Molecular formula
- C12H21NO
- Molecular weight
- 195.3
Names & synonyms
55649-56-4AGN-PC-0JTOWLDTXSID003457615-(2,4-Heptadienyl)-2-methylmorpholineDB-3168225-(hepta-2,4-dien-1-yl)-2-methylmorpholineMorpholine, 5-(2,4-heptadien-1-yl)-2-methyl-
Database identifiers
- CAS
55649-56-4- PubChem CID
- 606902
- DTXSID
DTXSID00345761
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
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Compound notes
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