2-{2-[(2-Aminoethyl)amino]-5-nitrobenzene-1-sulfonyl}ethan-1-ol

HCID 13628648
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Basic information

CAS
105652-75-3
Standard SMILES
NCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)CCO
InChIKey
SMPHMIJKBLNKAT-UHFFFAOYSA-N
Molecular formula
C10H15N3O5S
Average molar mass
289.31 g/mol
Monoisotopic mass
289.07324176

Names & identifiers

Preferred name
2-{2-[(2-Aminoethyl)amino]-5-nitrobenzene-1-sulfonyl}ethan-1-ol
IUPAC
2-[2-(2-aminoethylamino)-5-nitrophenyl]sulfonylethanol

Names & synonyms

105652-75-3SCHEMBL9878203DTXSID80545409SMPHMIJKBLNKAT-UHFFFAOYSA-N2-{2-[(2-Aminoethyl)amino]-5-nitrobenzene-1-sulfonyl}ethan-1-ol2-beta-Aminoethylamino-5-nitrophenyl hydroxyethyl sulfone

Database identifiers

CAS
105652-75-3
PubChem CID
13628648
DTXSID
DTXSID80545409

Properties

Computed structural propertiesFilling in

XLogP
-0.1
Topological polar surface area
147 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
19

Related reactions

1 records
New reaction record

Compound notes

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