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138350-41-1 | Pyrrolo[1,2-a]pyrazinium, 2,6-dimethyl-1-(phenylmethyl)-, iodide (1:1)
CAS No: 138350-41-1 Catalog No: AG0018LY MDL No:
Product Description
Catalog Number:
AG0018LY
Chemical Name:
Pyrrolo[1,2-a]pyrazinium, 2,6-dimethyl-1-(phenylmethyl)-, iodide (1:1)
CAS Number:
138350-41-1
Molecular Formula:
C16H17IN2
Molecular Weight:
364.2240
IUPAC Name:
1-benzyl-2,6-dimethylpyrrolo[1,2-a]pyrazin-2-ium;iodide
InChI:
InChI=1S/C16H17N2.HI/c1-13-8-9-15-16(17(2)10-11-18(13)15)12-14-6-4-3-5-7-14;/h3-11H,12H2,1-2H3;1H/q+1;/p-1
InChI Key:
AOXJYOHXMDOEFL-UHFFFAOYSA-M
SMILES:
C[n+]1ccn2c(c1Cc1ccccc1)ccc2C.[I-]
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.23g/mol
Monoisotopic Mass:
364.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
8.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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