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Home > Other Heterocycles > 1330170-43-8
1330170-43-8 | rac-(1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CAS No: 1330170-43-8 Catalog No: AG01BIG9 MDL No:MFCD18917002
Product Description
Catalog Number:
AG01BIG9
Chemical Name:
rac-(1R,6S)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CAS Number:
1330170-43-8
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
MDL Number:
MFCD18917002
IUPAC Name:
(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
InChI:
InChI=1S/C8H14N2O/c1-10-5-7-3-2-6(9-7)4-8(10)11/h6-7,9H,2-5H2,1H3/t6-,7+/m1/s1
InChI Key:
QKAKLAFGBZQMLX-RQJHMYQMSA-N
SMILES:
O=C1C[C@H]2CC[C@@H](CN1C)N2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
154.111g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.213g/mol
Monoisotopic Mass:
154.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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