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Home > Other Heterocycles > 113451-59-5
113451-59-5 | (1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane
CAS No: 113451-59-5 Catalog No: AG0078VU MDL No:MFCD01569250
Product Description
Catalog Number:
AG0078VU
Chemical Name:
(1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane
CAS Number:
113451-59-5
Molecular Formula:
C10H18N2O2
Molecular Weight:
198.2621
MDL Number:
MFCD01569250
IUPAC Name:
tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
InChI:
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChI Key:
UXAWXZDXVOYLII-YUMQZZPRSA-N
SMILES:
O=C(N1C[C@@H]2C[C@H]1CN2)OC(C)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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