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7661-40-7 | 1-Isobutylisoquinoline
CAS No: 7661-40-7 Catalog No: AG00GFAF MDL No:
Product Description
Catalog Number:
AG00GFAF
Chemical Name:
1-Isobutylisoquinoline
CAS Number:
7661-40-7
IUPAC Name:
1-(2-methylpropyl)isoquinoline
InChI:
InChI=1S/C13H15N/c1-10(2)9-13-12-6-4-3-5-11(12)7-8-14-13/h3-8,10H,9H2,1-2H3
InChI Key:
ILBZMIKXUUXIHC-UHFFFAOYSA-N
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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