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Home > Other Heterocycles > 198211-13-1
198211-13-1 | Carbamic acid, N-3-oxa-9-azabicyclo[3.3.1]non-7-yl-, 1,1-dimethylethyl ester
CAS No: 198211-13-1 Catalog No: AG002BDR MDL No:
Product Description
Catalog Number:
AG002BDR
Chemical Name:
Carbamic acid, N-3-oxa-9-azabicyclo[3.3.1]non-7-yl-, 1,1-dimethylethyl ester
CAS Number:
198211-13-1
Molecular Formula:
C12H22N2O3
Molecular Weight:
242.3147
IUPAC Name:
tert-butyl N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)carbamate
InChI:
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-8-4-9-6-16-7-10(5-8)13-9/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChI Key:
PJGMDHUHBZCJMI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CC2COCC(C1)N2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.319g/mol
Monoisotopic Mass:
242.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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