DDABDT

CAS Registry Number®

156679-41-3

CAS Name

DDABDT

Molecular Formula

C26H48N3O.C7H7O3S

Cite this Page

DDABDT.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=156679-41-3 (retrieved 2024-11-25) (CAS RN: 156679-41-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H47N3O.C7H8O3S/c1-6-7-8-9-10-11-12-13-14-15-22-29(4,5)23-16-21-27-26(30)24-17-19-25(20-18-24)28(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h17-20H,6-16,21-23H2,1-5H3;2-5H,1H3,(H,8,9,10)

InChIKey

InChIKey=RLPAVRZVJNPKLX-UHFFFAOYSA-N

SMILES

C(NCCC[N+](CCCCCCCCCCCC)(C)C)(=O)C1=CC=C(N(C)C)C=C1.S(=O)(=O)([O-])C1=CC=C(C)C=C1

Canonical SMILES

O=C(NCCC[N+](C)(C)CCCCCCCCCCCC)C1=CC=C(C=C1)N(C)C.O=S(=O)([O-])C1=CC=C(C=C1)C

Other Names for this Substance

  • 1-Dodecanaminium, N-[3-[[4-(dimethylamino)benzoyl]amino]propyl]-N,N-dimethyl-, 4-methylbenzenesulfonate (1:1)
  • 1-Dodecanaminium, N-[3-[[4-(dimethylamino)benzoyl]amino]propyl]-N,N-dimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)
  • Escalol HP 610
  • DDABDT
  • Escalol HP

CAS INSIGHTSTM
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