Home Aminos rac-(5R,6S)-5-(aminomethyl)-1-ethyl-6-(1-methyl-1H-imidazol-2-yl)piperidin-2-one, trans

rac-(5R,6S)-5-(aminomethyl)-1-ethyl-6-(1-methyl-1H-imidazol-2-yl)piperidin-2-one, trans

CAS No.:
2059917-73-4
Catalog Number:
AG01BVSW
Molecular Formula:
C12H20N4O
Molecular Weight:
236.3134
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Product Description
Catalog Number:
AG01BVSW
Chemical Name:
rac-(5R,6S)-5-(aminomethyl)-1-ethyl-6-(1-methyl-1H-imidazol-2-yl)piperidin-2-one, trans
CAS Number:
2059917-73-4
Molecular Formula:
C12H20N4O
Molecular Weight:
236.3134
MDL Number:
MFCD30530230
IUPAC Name:
(5R,6S)-5-(aminomethyl)-1-ethyl-6-(1-methylimidazol-2-yl)piperidin-2-one
InChI:
InChI=1S/C12H20N4O/c1-3-16-10(17)5-4-9(8-13)11(16)12-14-6-7-15(12)2/h6-7,9,11H,3-5,8,13H2,1-2H3/t9-,11+/m1/s1
InChI Key:
XGLBNUGUBPMKPB-KOLCDFICSA-N
SMILES:
NC[C@H]1CCC(=O)N([C@@H]1c1nccn1C)CC
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
236.164g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.319g/mol
Monoisotopic Mass:
236.164g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties