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Home > Other Heterocycles > 335620-97-8
335620-97-8 | 3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane dihydrochloride
CAS No: 335620-97-8 Catalog No: AG00IXLZ MDL No:MFCD27956752
Product Description
Catalog Number:
AG00IXLZ
Chemical Name:
3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane dihydrochloride
CAS Number:
335620-97-8
Molecular Formula:
C13H20Cl2N2O
Molecular Weight:
291.2167
MDL Number:
MFCD27956752
IUPAC Name:
3-benzyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane;dihydrochloride
InChI:
InChI=1S/C13H18N2O.2ClH/c1-2-4-11(5-3-1)8-15-9-12-6-14-7-13(10-15)16-12;;/h1-5,12-14H,6-10H2;2*1H
InChI Key:
WYJXAGJCXWTTAH-UHFFFAOYSA-N
SMILES:
N1CC2OC(C1)CN(C2)Cc1ccccc1.Cl.Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.216g/mol
Monoisotopic Mass:
290.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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