Benzoic acid, 4,4′-[[4,4-dicyano-1,7-bis[(1,1-dimethylethyl)amino]-1,7-heptanediylidene]dinitrilo]bis-, diethyl ester

CAS Registry Number®

77381-13-6

CAS Name

Benzoic acid, 4,4′-[[4,4-dicyano-1,7-bis[(1,1-dimethylethyl)amino]-1,7-heptanediylidene]dinitrilo]bis-, diethyl ester

Molecular Formula

C35H46N6O4

Molecular Mass

614.78

Cite this Page

Benzoic acid, 4,4′-[[4,4-dicyano-1,7-bis[(1,1-dimethylethyl)amino]-1,7-heptanediylidene]dinitrilo]bis-, diethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77381-13-6 (retrieved 2025-05-21) (CAS RN: 77381-13-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    80 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C35H46N6O4/c1-9-44-31(42)25-11-15-27(16-12-25)38-29(40-33(3,4)5)19-21-35(23-36,24-37)22-20-30(41-34(6,7)8)39-28-17-13-26(14-18-28)32(43)45-10-2/h11-18H,9-10,19-22H2,1-8H3,(H,38,40)(H,39,41)

InChIKey

InChIKey=BXEPBUPUNUBFBK-UHFFFAOYSA-N

SMILES

C(CCC(=NC1=CC=C(C(OCC)=O)C=C1)NC(C)(C)C)(CCC(=NC2=CC=C(C(OCC)=O)C=C2)NC(C)(C)C)(C#N)C#N

Canonical SMILES

N#CC(C#N)(CCC(=NC1=CC=C(C=C1)C(=O)OCC)NC(C)(C)C)CCC(=NC2=CC=C(C=C2)C(=O)OCC)NC(C)(C)C

Other Names for this Substance

  • Benzoic acid, 4,4′-[[4,4-dicyano-1,7-bis[(1,1-dimethylethyl)amino]-1,7-heptanediylidene]dinitrilo]bis-, diethyl ester

CAS INSIGHTSTM
Someone sitting at a desk watching a webinar