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1251016-59-7 | 2,6-Diazatricyclo[3.3.1.13,7]decane-2-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 1251016-59-7 Catalog No: AG000N6E MDL No:
Product Description
Catalog Number:
AG000N6E
Chemical Name:
2,6-Diazatricyclo[3.3.1.13,7]decane-2-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1251016-59-7
Molecular Formula:
C13H22N2O2
Molecular Weight:
238.3260
IUPAC Name:
tert-butyl 2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate
InChI:
InChI=1S/C13H22N2O2/c1-13(2,3)17-12(16)15-10-4-8-5-11(15)7-9(6-10)14-8/h8-11,14H,4-7H2,1-3H3
InChI Key:
LHHNQYJCOKFOAC-UHFFFAOYSA-N
SMILES:
O=C(N1C2CC3CC1CC(C2)N3)OC(C)(C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.331g/mol
Monoisotopic Mass:
238.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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