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2-((4-(Dimethylamino)cyclohexyl)(isopropyl)amino)ethanol

HCID 178786607
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Basic information

CAS
1353985-92-8
Standard SMILES
CC(C)N(CCO)C1CCC(N(C)C)CC1
InChIKey
DBMZECQYIOLMJZ-UHFFFAOYSA-N
Molecular formula
C13H28N2O
Average molar mass
228.37 g/mol
Monoisotopic mass
228.22016352

Names & identifiers

Preferred name
2-((4-(Dimethylamino)cyclohexyl)(isopropyl)amino)ethanol
IUPAC
2-[[4-(dimethylamino)cyclohexyl]-propan-2-ylamino]ethanol
English name
2-[(4-DiMethylaMino-cyclohexyl)-isopropyl-aMino]-ethanol
Molecular formula
C13H28N2O
Molecular weight
228.37

Names & synonyms

1353985-92-82-((4-(Dimethylamino)cyclohexyl)(isopropyl)amino)ethanol2-[(4-Dimethylamino-cyclohexyl)-isopropyl-amino]-ethanol(1R,4R)-2-[(4-Dimethylamino-cyclohexyl)-isopropyl-amino]-ethanolMFCD210941552-[[4-(dimethylamino)cyclohexyl]-isopropyl-amino]ethanol2-[[4-(dimethylamino)cyclohexyl]-propan-2-ylamino]ethanol2-{[4-(dimethylamino)cyclohexyl](propan-2-yl)amino}ethan-1-olEthanol, 2-[[4-(dimethylamino)cyclohexyl](1-methylethyl)amino]-

Database identifiers

CAS
1353985-92-8
PubChem CID
66565660

Properties

Computed structural propertiesFilling in

XLogP
1.8
Topological polar surface area
26.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
186

Physicochemical properties

Boiling point
331.6 · 331.6±32.0 °C(Predicted)
Density
0.96 · 0.96±0.1 g/cm3(Predicted)
pka
14.74 · 14.74±0.10(Predicted)

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