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1422139-85-2 | N-((1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-yl)isobutyramide
CAS No: 1422139-85-2 Catalog No: AG01DIDF MDL No:
Product Description
Catalog Number:
AG01DIDF
Chemical Name:
N-((1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-yl)isobutyramide
CAS Number:
1422139-85-2
Molecular Formula:
C9H16N2O
Molecular Weight:
168.2361
IUPAC Name:
N-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-methylpropanamide
InChI:
InChI=1S/C9H16N2O/c1-5(2)9(12)11-8-6-3-10-4-7(6)8/h5-8,10H,3-4H2,1-2H3,(H,11,12)/t6-,7+,8?
InChI Key:
NHMZFDNYMNHPDP-DHBOJHSNSA-N
SMILES:
CC(C(=O)N[C@@H]1[C@@H]2[C@H]1CNC2)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
168.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.24g/mol
Monoisotopic Mass:
168.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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