3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium
Basic information
- CAS
6710-66-3- Standard SMILES
C=C(C)C[NH2+]CC1OCCc2ccccc21- InChIKey
GTSIPQNNVZDQNP-UHFFFAOYSA-O- Molecular formula
- C14H20NO+
- Average molar mass
- 218.31 g/mol
- Monoisotopic mass
- 218.15448926
Names & identifiers
- Preferred name
- 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium
- IUPAC
- 3,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azanium
Names & synonyms
6710-66-33,4-dihydro-1H-isochromen-1-ylmethyl(2-methylprop-2-enyl)azaniumDTXSID10410999N-[(3,4-Dihydro-1H-2-benzopyran-1-yl)methyl]-2-methylprop-2-en-1-aminium
Database identifiers
- CAS
6710-66-3- PubChem CID
- 5220641
- DTXSID
DTXSID10410999
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 239
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Compound notes
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