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88274-07-1 | Indolizine, 2-butyl-1-methyl-
CAS No: 88274-07-1 Catalog No: AG004AA2 MDL No:
Product Description
Catalog Number:
AG004AA2
Chemical Name:
Indolizine, 2-butyl-1-methyl-
CAS Number:
88274-07-1
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
2-butyl-1-methylindolizine
InChI:
InChI=1S/C13H17N/c1-3-4-7-12-10-14-9-6-5-8-13(14)11(12)2/h5-6,8-10H,3-4,7H2,1-2H3
InChI Key:
CGJWELKBNALFHC-UHFFFAOYSA-N
SMILES:
CCCCc1cn2c(c1C)cccc2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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