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N-[4-(1-aminopropyl)-2-ethylphenyl]methanesulfonamide

HCID 77250830
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCc1cc(C(N)CC)ccc1NS(C)(=O)=O
InChIKey
DBXRBNOHYNTTGR-UHFFFAOYSA-N
Molecular formula
C12H20N2O2S
Average molar mass
256.37 g/mol

Names & identifiers

Preferred name
N-[4-(1-aminopropyl)-2-ethylphenyl]methanesulfonamide
IUPAC
N-[4-(1-aminopropyl)-2-ethylphenyl]methanesulfonamide

Database identifiers

PubChem CID
77250830

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
80.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Formal charge
0
Complexity
324

Related reactions

2 records
New reaction record
HRID 802979 reaction equation
HRID 802979As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 829591 reaction equation
HRID 829591As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes