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[5-({[3-(Methyloxy)propyl]amino}methyl)-2-thienyl]boronic acid

HCID 66722906
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCCCNCc1ccc(B(O)O)s1
InChIKey
ZHTHWPFFFNMYKQ-UHFFFAOYSA-N
Molecular formula
C9H16BNO3S
Average molar mass
229.11 g/mol
Monoisotopic mass
229.0943947

Names & identifiers

Preferred name
[5-({[3-(Methyloxy)propyl]amino}methyl)-2-thienyl]boronic acid
IUPAC
[5-[(3-methoxypropylamino)methyl]thiophen-2-yl]boronic acid

Names & synonyms

SCHEMBL552217ZHTHWPFFFNMYKQ-UHFFFAOYSA-NDB-095770[5-({[3-(methyloxy)propyl]amino}methyl)-2-thienyl]boronic acid919347-33-4

Database identifiers

PubChem CID
66722906

Properties

Computed structural properties

Topological polar surface area
90 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
15
Formal charge
0
Complexity
173

Related reactions

6 records
New reaction record
HRID 562184 reaction equation
HRID 562184As productuspto-grants-2011_11
HRID 562185 reaction equation
HRID 562185As reactantuspto-grants-2011_11
HRID 685837 reaction equation
HRID 685837As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1806370 reaction equation
HRID 1806370As productuspto-grants-2013_01
HRID 1806371 reaction equation
HRID 1806371As reactantuspto-grants-2013_01
HRID 2157747 reaction equation
HRID 2157747As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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