1H-1,4-Benzodiazepine-2-methanamine, 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-, (2Z)-2-butenedioate (1:2)

CAS Registry Number®

59469-29-3

CAS Name

1H-1,4-Benzodiazepine-2-methanamine, 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-, (2Z)-2-butenedioate (1:2)

Molecular Formula

C16H15ClFN3.2C4H4O4

Cite this Page

1H-1,4-Benzodiazepine-2-methanamine, 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-, (2Z)-2-butenedioate (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59469-29-3 (retrieved 2024-11-24) (CAS RN: 59469-29-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196-198 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C16H15ClFN3.C4H4O4/c17-10-5-6-15-13(7-10)16(20-9-11(8-19)21-15)12-3-1-2-4-14(12)18;5-3(6)1-2-4(7)8/h1-7,11,21H,8-9,19H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

InChIKey=SXOTYHIALPUMCE-BTJKTKAUSA-N

SMILES

ClC=1C=C2C(=NCC(CN)NC2=CC1)C3=C(F)C=CC=C3.C(=C\C(O)=O)\C(O)=O

Canonical SMILES

O=C(O)C=CC(=O)O.FC=1C=CC=CC1C2=NCC(NC=3C=CC(Cl)=CC23)CN

Other Names for this Substance

  • 1H-1,4-Benzodiazepine-2-methanamine, 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-, (2Z)-2-butenedioate (1:2)
  • 1H-1,4-Benzodiazepine-2-methanamine, 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-, (Z)-2-butenedioate (1:2)
  • 2-Aminomethyl-7-chloro-2,3-dihydro-5-(2-fluorophenyl)-1H-1,4-benzodiazepine dimaleate

CAS INSIGHTSTM
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