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Home > Other Heterocycles > 1909287-31-5
1909287-31-5 | tert-butyl rac-(1S,2R,4R)-7-azabicyclo[2.2.1]hept-2-ylcarbamate hydrochloride
CAS No: 1909287-31-5 Catalog No: AG00J29U MDL No:MFCD28891728
Product Description
Catalog Number:
AG00J29U
Chemical Name:
tert-butyl rac-(1S,2R,4R)-7-azabicyclo[2.2.1]hept-2-ylcarbamate hydrochloride
CAS Number:
1909287-31-5
Molecular Formula:
C11H21ClN2O2
Molecular Weight:
248.7496
MDL Number:
MFCD28891728
IUPAC Name:
tert-butyl N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamate;hydrochloride
InChI:
InChI=1S/C11H20N2O2.ClH/c1-11(2,3)15-10(14)13-9-6-7-4-5-8(9)12-7;/h7-9,12H,4-6H2,1-3H3,(H,13,14);1H/t7-,8+,9-;/m1./s1
InChI Key:
CTUPSFKVOJMISH-RVKMJUHISA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1C[C@@H]2N[C@H]1CC2.Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
248.129g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
248.751g/mol
Monoisotopic Mass:
248.129g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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