Benzeneacetic acid, 4-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS Registry Number®
917027-03-3
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CAS Name
Benzeneacetic acid, 4-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-, compd. with N-cyclohexylcyclohexanamine (1:1)Molecular Formula
C13H16ClNO4.C12H23NCite this Page
Benzeneacetic acid, 4-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-, compd. with N-cyclohexylcyclohexanamine (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=917027-03-3 (retrieved ) (CAS RN: 917027-03-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C13H16ClNO4.C12H23N/c1-13(2,3)19-12(18)15-10(11(16)17)8-4-6-9(14)7-5-8;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-7,10H,1-3H3,(H,15,18)(H,16,17);11-13H,1-10H2/t10-;/m0./s1
InChIKey
InChIKey=BKPGICCZOSPDIS-PPHPATTJSA-N
SMILES
[C@@H](NC(OC(C)(C)C)=O)(C(O)=O)C1=CC=C(Cl)C=C1.N(C1CCCCC1)C2CCCCC2
Canonical SMILES
O=C(OC(C)(C)C)NC(C(=O)O)C1=CC=C(Cl)C=C1.N(C1CCCCC1)C2CCCCC2
Other Names for this Substance
- Benzeneacetic acid, 4-chloro-α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-, compd. with N-cyclohexylcyclohexanamine (1:1)
- (S)-2-(tert-Butoxycarbonylamino)-2-(4-chlorophenyl)ethanoic acid dicyclohexylamine salt