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Home > Other Heterocycles > 1000931-10-1
1000931-10-1 | 3-Azabicyclo[3.3.1]nonane, 9,9-dimethoxy-3-(phenylmethyl)-
CAS No: 1000931-10-1 Catalog No: AG0000VO MDL No:MFCD13806400
Product Description
Catalog Number:
AG0000VO
Chemical Name:
3-Azabicyclo[3.3.1]nonane, 9,9-dimethoxy-3-(phenylmethyl)-
CAS Number:
1000931-10-1
Molecular Formula:
C17H25NO2
Molecular Weight:
275.3859
MDL Number:
MFCD13806400
IUPAC Name:
3-benzyl-9,9-dimethoxy-3-azabicyclo[3.3.1]nonane
InChI:
InChI=1S/C17H25NO2/c1-19-17(20-2)15-9-6-10-16(17)13-18(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13H2,1-2H3
InChI Key:
UQUYBDDFLUHQSM-UHFFFAOYSA-N
SMILES:
COC1(OC)C2CCCC1CN(C2)Cc1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.392g/mol
Monoisotopic Mass:
275.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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