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Home > Other Heterocycles > 1807939-52-1
1807939-52-1 | rac- oxalic acid tert-butyl N-[(1R,5S,6r)-3-azabicyclo[3.1.1]heptan-6-yl]carbamate
CAS No: 1807939-52-1 Catalog No: AG01BAF2 MDL No:MFCD28397629
Product Description
Catalog Number:
AG01BAF2
Chemical Name:
rac- oxalic acid tert-butyl N-[(1R,5S,6r)-3-azabicyclo[3.1.1]heptan-6-yl]carbamate
CAS Number:
1807939-52-1
Molecular Formula:
C13H22N2O6
Molecular Weight:
302.3236
MDL Number:
MFCD28397629
IUPAC Name:
tert-butyl N-[(1S,5S)-3-azabicyclo[3.1.1]heptan-6-yl]carbamate;oxalic acid
InChI:
InChI=1S/C11H20N2O2.C2H2O4/c1-11(2,3)15-10(14)13-9-7-4-8(9)6-12-5-7;3-1(4)2(5)6/h7-9,12H,4-6H2,1-3H3,(H,13,14);(H,3,4)(H,5,6)/t7-,8-;/m0./s1
InChI Key:
CTCNNIULUJYERS-WSZWBAFRSA-N
SMILES:
OC(=O)C(=O)O.O=C(OC(C)(C)C)N[C@@H]1[C@@H]2CNC[C@H]1C2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
302.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
302.327g/mol
Monoisotopic Mass:
302.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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