m-Toluidine, alpha-(methylsulfonyl)-4-(pentyloxy)-

HCID 201339

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Basic information

CAS: 5819-64-7
Standard SMILES: CCCCCOc1ccc(N)cc1CS(C)(=O)=O
InChIKey: FSBCLKOMNYSLPR-UHFFFAOYSA-N
Molecular formula: C13H21NO3S
Average molar mass: 271.38 g/mol
Monoisotopic mass: 271.12421453

Names & identifiers

Preferred name: m-Toluidine, alpha-(methylsulfonyl)-4-(pentyloxy)-
IUPAC: 3-(methylsulfonylmethyl)-4-pentoxyaniline

Names & synonyms

5819-64-7m-Toluidine, alpha-(methylsulfonyl)-4-(pentyloxy)-M & B 6914BRN 2738648alpha-(Methylsulfonyl)-4-(pentyloxy)-m-toluidineDTXSID60206920RefChem:351601DTXCID901294113-(methylsulfonylmethyl)-4-pentoxyaniline3-((Methylsulfonyl)methyl)-4-(pentyloxy)anilinestarbld0012473orb1985584

Show more names

AKOS040753169T335303-[(Methanesulfonyl)methyl]-4-(pentyloxy)aniline

Database identifiers

CAS: 5819-64-7
PubChem CID: 201339
DTXSID: DTXSID60206920

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 324

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