![1-Propanaminium, N-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-2-hydroxy-N,N-dimethyl-, acetate (salt)](https://newcny.com/wp-content/uploads/2024/09/82205-20-7.svg)
CAS Registry Number®
82205-20-7
CAS Name
1-Propanaminium, N-[2-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-2-hydroxy-N,N-dimethyl-, acetate (1:1)
Molecular Formula
C21H29ClN5O3.C2H3O2
Molecular Mass
493.98
Other Names and Identifiers
InChI
InChI=1S/C21H29ClN5O3.C2H4O2/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;1-2(3)4/h6-11,14,16,28H,5,12-13,15H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChIKey
InChIKey=XSFKEMHKDFPDNK-UHFFFAOYSA-M
SMILES
N(CC[N+](CC(C)O)(C)C)(CC)C1=CC=C(N=NC2=C(Cl)C=C(N(=O)=O)C=C2)C=C1.C(C)([O-])=O
Canonical SMILES
O=C([O-])C.O=N(=O)C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CC[N+](C)(C)CC(O)C)C(Cl)=C1
Other Names for this Substance
- 1-Propanaminium, N-[2-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-2-hydroxy-N,N-dimethyl-, acetate (1:1)
- 1-Propanaminium, N-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-2-hydroxy-N,N-dimethyl-, acetate (salt)
