Ethanol, 2,2'-(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)iminodi-

HCID 40359

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Basic information

CAS: 52400-68-7
Standard SMILES: CC1(CCN(CCO)CCO)Oc2ccccc2O1
InChIKey: CNGILMOYYWKPBU-UHFFFAOYSA-N
Molecular formula: C14H21NO4
Average molar mass: 267.32 g/mol
Monoisotopic mass: 267.14705815

Names & identifiers

Preferred name: Ethanol, 2,2'-(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)iminodi-
IUPAC: 2-[2-hydroxyethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]amino]ethanol

Names & synonyms

BRN 1432056ETHANOL, 2,2'-(2-(2-METHYL-1,3-BENZODIOXOL-2-YL)ETHYL)IMINODI-52400-68-7DTXSID102004181,3-Benzodioxole, 2-(2-(bis(2-hydroxyethyl)amino)ethyl)-2-methyl-2-(2-(Bis(2-hydroxyethyl)amino)ethyl)-2-methyl-1,3-benzodioxoleRefChem:340705DTXCID101229092,2'-{[2-(2-Methyl-2H-1,3-benzodioxol-2-yl)ethyl]azanediyl}di(ethan-1-ol)

Database identifiers

CAS: 52400-68-7
PubChem CID: 40359
DTXSID: DTXSID10200418

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 62.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 19
Formal charge: 0
Complexity: 254

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