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16-[N,N-bis(2-hydroxyethyl)amino]-1-hexadecanol

HCID 22015146
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
OCCCCCCCCCCCCCCCCN(CCO)CCO
InChIKey
GVFAGXZMUQEJBR-UHFFFAOYSA-N
Molecular formula
C20H43NO3
Average molar mass
345.6 g/mol

Names & identifiers

Preferred name
16-[N,N-bis(2-hydroxyethyl)amino]-1-hexadecanol
IUPAC
16-[bis(2-hydroxyethyl)amino]hexadecan-1-ol

Names & synonyms

SCHEMBL6072706GVFAGXZMUQEJBR-UHFFFAOYSA-N16-[N,N-bis(2-hydroxyethyl)amino]-1-hexadecanol

Database identifiers

PubChem CID
22015146

Properties

Computed structural propertiesFilling in

XLogP
5.1
Topological polar surface area
63.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
20
Heavy atoms
24
Formal charge
0
Complexity
221

Related reactions

2 records
New reaction record
HRID 1115 reaction equation
HRID 1115As productuspto-grants-1998_03
HRID 143521 reaction equation
HRID 143521As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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