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128855-21-0 | Indolizine, 3-butyloctahydro-5-(4-pentenyl)-, (3α,5β,8aβ)- (9CI)
CAS No: 128855-21-0 Catalog No: AG000YFT MDL No:
Product Description
Catalog Number:
AG000YFT
Chemical Name:
Indolizine, 3-butyloctahydro-5-(4-pentenyl)-, (3α,5β,8aβ)- (9CI)
CAS Number:
128855-21-0
Molecular Formula:
C17H31N
Molecular Weight:
249.4347
IUPAC Name:
(3S,5S,8aR)-3-butyl-5-pent-4-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
InChI:
InChI=1S/C17H31N/c1-3-5-7-10-15-11-8-12-17-14-13-16(18(15)17)9-6-4-2/h3,15-17H,1,4-14H2,2H3/t15-,16-,17+/m0/s1
InChI Key:
JVOZSCQXKKLTLV-YESZJQIVSA-N
SMILES:
CCCC[C@H]1CC[C@@H]2N1[C@@H](CCCC=C)CCC2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
249.246g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.442g/mol
Monoisotopic Mass:
249.246g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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