Benzonitrile, 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-, 2,2,2-trifluoroacetate (1:1)

CAS Registry Number®

1002752-56-8

CAS Name

Benzonitrile, 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-, 2,2,2-trifluoroacetate (1:1)

Molecular Formula

C17H17ClN2.C2HF3O2

Cite this Page

Benzonitrile, 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-, 2,2,2-trifluoroacetate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1002752-56-8 (retrieved 2024-11-04) (CAS RN: 1002752-56-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H17ClN2.C2HF3O2/c1-12(20)17(10-13-5-7-16(18)8-6-13)15-4-2-3-14(9-15)11-19;3-2(4,5)1(6)7/h2-9,12,17H,10,20H2,1H3;(H,6,7)/t12-,17+;/m0./s1

InChIKey

InChIKey=MGMUUSAGMLYHFG-LWHGMNCYSA-N

SMILES

[C@@H](CC1=CC=C(Cl)C=C1)([C@H](C)N)C2=CC(C#N)=CC=C2.C(C(O)=O)(F)(F)F

Canonical SMILES

N#CC1=CC=CC(=C1)C(CC2=CC=C(Cl)C=C2)C(N)C.O=C(O)C(F)(F)F

Other Names for this Substance

  • Benzonitrile, 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-, 2,2,2-trifluoroacetate (1:1)

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles