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Home > Other Heterocycles > 1072102-31-8
1072102-31-8 | (S,S)-3-Isobutyl-1,4-diazabicyclo[4.3.0]nonane
CAS No: 1072102-31-8 Catalog No: AG00HAY4 MDL No:
Product Description
Catalog Number:
AG00HAY4
Chemical Name:
(S,S)-3-Isobutyl-1,4-diazabicyclo[4.3.0]nonane
CAS Number:
1072102-31-8
IUPAC Name:
(3S,8aS)-3-(2-methylpropyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
InChI:
InChI=1S/C11H22N2/c1-9(2)6-10-8-13-5-3-4-11(13)7-12-10/h9-12H,3-8H2,1-2H3/t10-,11-/m0/s1
InChI Key:
CLNMUPYECOXNEZ-QWRGUYRKSA-N
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
182.178g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.311g/mol
Monoisotopic Mass:
182.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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