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Benzylidene-(3-bromo-1-propylamine)

HCID 11053338
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
BrCCCN=Cc1ccccc1
InChIKey
GPQCYILGXAWKIY-UHFFFAOYSA-N
Molecular formula
C10H12BrN
Average molar mass
226.11 g/mol

Names & identifiers

Preferred name
Benzylidene-(3-bromo-1-propylamine)
IUPAC
N-(3-bromopropyl)-1-phenylmethanimine

Names & synonyms

69390-84-7SCHEMBL1309274GPQCYILGXAWKIY-UHFFFAOYSA-NBenzylidene-(3-bromo-1-propylamine)(E)-N-benzylidene-3-bromopropan-1-amineDB-310213

Database identifiers

PubChem CID
11053338
Nikkaji
J1.573.608I

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
12.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
128

Related reactions

6 records
New reaction record
HRID 72842 reaction equation
HRID 72842As productuspto-grants-2014_09
HRID 170103 reaction equation
HRID 170103As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 555331 reaction equation
HRID 555331As productuspto-grants-2011_11
HRID 1052144 reaction equation
HRID 1052144As productuspto-grants-2016_07
HRID 1056923 reaction equation
HRID 1056923As productuspto-grants-2016_07
HRID 1505817 reaction equation
HRID 1505817As productuspto-grants-2015_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes