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N-(4-(2-Aminoethyl)phenyl)methanesulfonamide

HCID 22018499
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Basic information

CAS
114365-12-7
Standard SMILES
CS(=O)(=O)Nc1ccc(CCN)cc1
InChIKey
SXYAAGQHMZVOEB-UHFFFAOYSA-N
Molecular formula
C9H14N2O2S
Average molar mass
214.29 g/mol
Monoisotopic mass
214.07759887

Names & identifiers

Preferred name
N-(4-(2-Aminoethyl)phenyl)methanesulfonamide
IUPAC
N-[4-(2-aminoethyl)phenyl]methanesulfonamide
English name
N-(4-(2-aMinoethyl)phenyl)MethanesulfonaMide
Molecular formula
C9H14N2O2S
Molecular weight
214.28

Names & synonyms

114365-12-7N-[4-(2-aminoethyl)phenyl]methanesulfonamideN-(4-(2-Aminoethyl)phenyl)methanesulfonamideSCHEMBL1467422SCHEMBL9079043SXYAAGQHMZVOEB-UHFFFAOYSA-N4-methanesulfonylaminophenethylamine4'-(2-Aminoethyl)methanesulfonanilideAKOS011587313DB-115008EN300-4993306Methanesulfonamide, N-[4-(2-aminoethyl)phenyl]-

Database identifiers

CAS
114365-12-7
PubChem CID
22018499

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
80.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
14
Formal charge
0
Complexity
250

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Related reactions

3 records
New reaction record
HRID 675315 reaction equation
HRID 675315As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1029744 reaction equation
HRID 1029744As productuspto-grants-1992_04
HRID 1613652 reaction equation
HRID 1613652As productuspto-grants-1993_03

Compound notes

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