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[4-(2-Hydroxypropan-2-yl)cyclohexyl]azanium (HCID 86324892)|Huagongshe
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Compound
[4-(2-Hydroxypropan-2-yl)cyclohexyl]azanium
HCID
86324892
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Properties
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Basic information
Standard SMILES
CC(C)(O)C1CCC([NH3+])CC1
InChIKey
IUGMKNUWVITXNR-UHFFFAOYSA-O
Molecular formula
C9H20NO+
Average molar mass
158.26 g/mol
Names & identifiers
Preferred name
[4-(2-Hydroxypropan-2-yl)cyclohexyl]azanium
IUPAC
[4-(2-hydroxypropan-2-yl)cyclohexyl]azanium
Database identifiers
PubChem CID
86324892
Properties
Computed structural properties
XLogP
0.7
Topological polar surface area
47.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Formal charge
1
Complexity
126
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Related reactions
1 records
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As solvent
HRID
284598
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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