9H-Pyrido[2,3-b]azepine-9-carboxylic acid, 2-chloro-5,6,7,8-tetrahydro-, 1,1-dimethylethyl ester

CAS Registry Number®

679392-25-7

CAS Name

9H-Pyrido[2,3-b]azepine-9-carboxylic acid, 2-chloro-5,6,7,8-tetrahydro-, 1,1-dimethylethyl ester

Molecular Formula

C14H19ClN2O2

Molecular Mass

282.77

Cite this Page

9H-Pyrido[2,3-b]azepine-9-carboxylic acid, 2-chloro-5,6,7,8-tetrahydro-, 1,1-dimethylethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=679392-25-7 (retrieved 2024-10-05) (CAS RN: 679392-25-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    164.5-167.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H19ClN2O2/c1-14(2,3)19-13(18)17-9-5-4-6-10-7-8-11(15)16-12(10)17/h7-8H,4-6,9H2,1-3H3

InChIKey

InChIKey=IRSVDPRIUKSVFH-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1C=2C(=CC=C(Cl)N2)CCCC1

Canonical SMILES

O=C(OC(C)(C)C)N1C2=NC(Cl)=CC=C2CCCC1

Other Names for this Substance

  • 9H-Pyrido[2,3-b]azepine-9-carboxylic acid, 2-chloro-5,6,7,8-tetrahydro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 2-chloro-5,6,7,8-tetrahydro-9H-pyrido[2,3-b]azepine-9-carboxylate
  • tert-Butyl 2-chloro-5,6,7,8-tetrahydro-9-pyrido[2,3-b]azepine-9-carboxylate

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