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124772-32-3 | Isoquinolinium, 2-(1-methylethyl)-, iodide (1:1)
CAS No: 124772-32-3 Catalog No: AG000MQJ MDL No:
Product Description
Catalog Number:
AG000MQJ
Chemical Name:
Isoquinolinium, 2-(1-methylethyl)-, iodide (1:1)
CAS Number:
124772-32-3
Molecular Formula:
C12H14IN
Molecular Weight:
299.1507
IUPAC Name:
2-propan-2-ylisoquinolin-2-ium;iodide
InChI:
InChI=1S/C12H14N.HI/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;/h3-10H,1-2H3;1H/q+1;/p-1
InChI Key:
AVSUEEVZEFABIZ-UHFFFAOYSA-M
SMILES:
CC([n+]1ccc2c(c1)cccc2)C.[I-]
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.155g/mol
Monoisotopic Mass:
299.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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