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148096-98-4 | Pyrrolo[1,2-a]pyrazinium, 2,6-dimethyl-1-(1-methylethyl)-, iodide (1:1)
CAS No: 148096-98-4 Catalog No: AG001FF6 MDL No:
Product Description
Catalog Number:
AG001FF6
Chemical Name:
Pyrrolo[1,2-a]pyrazinium, 2,6-dimethyl-1-(1-methylethyl)-, iodide (1:1)
CAS Number:
148096-98-4
Molecular Formula:
C12H17IN2
Molecular Weight:
316.1812
IUPAC Name:
2,6-dimethyl-1-propan-2-ylpyrrolo[1,2-a]pyrazin-2-ium;iodide
InChI:
InChI=1S/C12H17N2.HI/c1-9(2)12-11-6-5-10(3)14(11)8-7-13(12)4;/h5-9H,1-4H3;1H/q+1;/p-1
InChI Key:
AHNLOPJZEGIYSH-UHFFFAOYSA-M
SMILES:
CC(c1[n+](C)ccn2c1ccc2C)C.[I-]
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.186g/mol
Monoisotopic Mass:
316.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
8.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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