Hexetidine

CAS Registry Number®

141-94-6

CAS Name

Hexetidine

Molecular Formula

C21H45N3

Molecular Mass

339.60

Cite this Page

Hexetidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=141-94-6 (retrieved 2024-11-21) (CAS RN: 141-94-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    160 °C

  • Melting Point (1)

    <25 °C

  • Density (2)

    0.8889 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3

InChIKey

InChIKey=DTOUUUZOYKYHEP-UHFFFAOYSA-N

SMILES

C(C(CCCC)CC)N1CN(CC(CCCC)CC)CC(C)(N)C1

Canonical SMILES

NC1(C)CN(CN(CC(CC)CCCC)C1)CC(CC)CCCC

Other Names for this Substance

  • 5-Pyrimidinamine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-
  • Pyrimidine, 5-amino-1,3-bis(2-ethylhexyl)hexahydro-5-methyl-
  • 1,3-Bis(2-ethylhexyl)hexahydro-5-methyl-5-pyrimidinamine
  • 5-Amino-1,3-bis(2-ethylhexyl)hexahydro-5-methylpyrimidine
  • 5-Amino-1,3-bis(β-ethylhexyl)-5-methylhexahydropyrimidine

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration