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87073-09-4 | 2-Oxabicyclo[2.2.2]oct-5-en-6-amine, N,N,1,3,3-pentamethyl-
CAS No: 87073-09-4 Catalog No: AG004JD1 MDL No:
Product Description
Catalog Number:
AG004JD1
Chemical Name:
2-Oxabicyclo[2.2.2]oct-5-en-6-amine, N,N,1,3,3-pentamethyl-
CAS Number:
87073-09-4
Molecular Formula:
C12H21NO
Molecular Weight:
195.3012
IUPAC Name:
N,N,1,3,3-pentamethyl-2-oxabicyclo[2.2.2]oct-5-en-6-amine
InChI:
InChI=1S/C12H21NO/c1-11(2)9-6-7-12(3,14-11)10(8-9)13(4)5/h8-9H,6-7H2,1-5H3
InChI Key:
BWMQGVLFJUKZAU-UHFFFAOYSA-N
SMILES:
CN(C1=CC2CCC1(C)OC2(C)C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.306g/mol
Monoisotopic Mass:
195.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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