Phenol, 2-[(1S)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-, (2S,3S)-2,3-dihydroxybutanedioate (1:1)

CAS Registry Number®

124937-54-8

CAS Name

Phenol, 2-[(1S)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-, (2S,3S)-2,3-dihydroxybutanedioate (1:1)

Molecular Formula

C22H31NO.C4H6O6

Cite this Page

Phenol, 2-[(1S)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-, (2S,3S)-2,3-dihydroxybutanedioate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=124937-54-8 (retrieved 2024-11-24) (CAS RN: 124937-54-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205-207 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H31NO.C4H6O6/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;5-1(3(7)8)2(6)4(9)10/h6-12,15-17,20,24H,13-14H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t20-;1-,2-/m00/s1

InChIKey

InChIKey=TWHNMSJGYKMTRB-KAKIZCIRSA-N

SMILES

[C@@H](CCN(C(C)C)C(C)C)(C1=C(O)C=CC(C)=C1)C2=CC=CC=C2.[C@H]([C@@H](C(O)=O)O)(C(O)=O)O

Canonical SMILES

O=C(O)C(O)C(O)C(=O)O.OC1=CC=C(C=C1C(C=2C=CC=CC2)CCN(C(C)C)C(C)C)C

Other Names for this Substance

  • Phenol, 2-[(1S)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-, (2S,3S)-2,3-dihydroxybutanedioate (1:1)
  • Phenol, 2-[3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-methyl-, (S)-, [S-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)

CAS INSIGHTSTM
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