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Home > Other Heterocycles > 1400808-13-0
1400808-13-0 | Tert-butyl (1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-ylcarbamate
CAS No: 1400808-13-0 Catalog No: AG003ARR MDL No:MFCD22209802
Product Description
Catalog Number:
AG003ARR
Chemical Name:
Tert-butyl (1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-ylcarbamate
CAS Number:
1400808-13-0
Molecular Formula:
C11H20N2O2
Molecular Weight:
212.2887
MDL Number:
MFCD22209802
IUPAC Name:
tert-butyl N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]carbamate
InChI:
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-9-5-8-4-7(9)6-12-8/h7-9,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-,9-/m1/s1
InChI Key:
VERHYGQTHIOMQC-IWSPIJDZSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1C[C@H]2C[C@@H]1CN2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
212.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.293g/mol
Monoisotopic Mass:
212.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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