Benzeneacetonitrile, α-[2-(dimethylamino)propyl]-α-(1-methylethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

CAS Registry Number®

28416-66-2

CAS Name

Benzeneacetonitrile, α-[2-(dimethylamino)propyl]-α-(1-methylethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Molecular Formula

C16H24N2.C6H8O7

Cite this Page

Benzeneacetonitrile, α-[2-(dimethylamino)propyl]-α-(1-methylethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28416-66-2 (retrieved 2024-11-25) (CAS RN: 28416-66-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    63-64 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C16H24N2.C6H8O7/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-10,13-14H,11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

InChIKey=ZXASMEUEMIIBDZ-UHFFFAOYSA-N

SMILES

C(CC(O)=O)(CC(O)=O)(C(O)=O)O.C(CC(N(C)C)C)(C(C)C)(C#N)C1=CC=CC=C1

Canonical SMILES

N#CC(C=1C=CC=CC1)(CC(N(C)C)C)C(C)C.O=C(O)CC(O)(C(=O)O)CC(=O)O

Other Names for this Substance

  • Benzeneacetonitrile, α-[2-(dimethylamino)propyl]-α-(1-methylethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Valeronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, citrate
  • Peracon
  • α-(β-Dimethylaminopropyl)-α-isopropylphenylacetonitrile citrate
  • α-Isopropyl-α-(2-dimethylaminopropyl)phenylacetonitrile citrate

View All

Deleted or Replaced CAS Registry Numbers

126-10-3, 2365-38-0, 2438-42-8

CAS INSIGHTSTM
Hourglass and a clock