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69343-05-1 | 2H-Pyrrolium,1-ethyl-3,4-dihydro-5-[2-(phenylamino)ethenyl]-, iodide (1:1)
CAS No: 69343-05-1 Catalog No: AG006FUU MDL No:
Product Description
Catalog Number:
AG006FUU
Chemical Name:
2H-Pyrrolium,1-ethyl-3,4-dihydro-5-[2-(phenylamino)ethenyl]-, iodide (1:1)
CAS Number:
69343-05-1
Molecular Formula:
C14H19IN2
Molecular Weight:
342.2185
IUPAC Name:
N-[(E)-2-(1-ethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline;iodide
InChI:
InChI=1S/C14H18N2.HI/c1-2-16-12-6-9-14(16)10-11-15-13-7-4-3-5-8-13;/h3-5,7-8,10-11H,2,6,9,12H2,1H3;1H
InChI Key:
XISJNWVCRYHRFY-UHFFFAOYSA-N
SMILES:
CC[N+]1=C(CCC1)C=CNc1ccccc1.[I-]
EC Number:
273-971-3
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
342.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.224g/mol
Monoisotopic Mass:
342.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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