3-(Dimethylamino)propyl 4-methylbenzene-1-sulfonate

HCID 21455072

Basic information

CAS
39743-22-1
Standard SMILES
Cc1ccc(S(=O)(=O)OCCCN(C)C)cc1
InChIKey
VTWZICMJJJQLKT-UHFFFAOYSA-N
Molecular formula
C12H19NO3S
Average molar mass
257.35 g/mol
Monoisotopic mass
257.10856447

Names & identifiers

Preferred name
3-(Dimethylamino)propyl 4-methylbenzene-1-sulfonate
IUPAC
3-(dimethylamino)propyl 4-methylbenzenesulfonate

Names & synonyms

39743-22-13-(dimethylamino)propyl 4-methylbenzene-1-sulfonate1-Propanol, 3-(dimethylamino)-, 1-(4-methylbenzenesulfonate)SCHEMBL995109VTWZICMJJJQLKT-UHFFFAOYSA-NDTXSID4011848653-(dimethylamino)propyl-4-methylbenzenesulfonateEN300-6992131toluene-4-sulfonic acid 3-dimethylamino-propyl esterp-toluenesulfonic acid 3-dimethylamino-n-propyl ester

Database identifiers

CAS
39743-22-1
PubChem CID
21455072
DTXSID
DTXSID401184865

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
55 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
17

Related reactions

9 records

Compound notes

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