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1251017-66-9 | 3,6-Diazabicyclo[3.1.1]heptane-3-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 1251017-66-9 Catalog No: AG000N6D MDL No:MFCD17016735
Product Description
Catalog Number:
AG000N6D
Chemical Name:
3,6-Diazabicyclo[3.1.1]heptane-3-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1251017-66-9
Molecular Formula:
C10H18N2O2
Molecular Weight:
198.2621
MDL Number:
MFCD17016735
IUPAC Name:
tert-butyl 3,6-diazabicyclo[3.1.1]heptane-3-carboxylate
InChI:
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-7-4-8(6-12)11-7/h7-8,11H,4-6H2,1-3H3
InChI Key:
FCRTVZBUJDHXNR-UHFFFAOYSA-N
SMILES:
O=C(N1CC2CC(C1)N2)OC(C)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.137g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.266g/mol
Monoisotopic Mass:
198.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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