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Home > Other Heterocycles > 1149380-69-7
1149380-69-7 | tert-butyl N-[(1R,3S,5S)-8-azabicyclo[3.2.1]octan-3-yl]carbamate hydrochloride
CAS No: 1149380-69-7 Catalog No: AG01B67I MDL No:MFCD23099170
Product Description
Catalog Number:
AG01B67I
Chemical Name:
tert-butyl N-[(1R,3S,5S)-8-azabicyclo[3.2.1]octan-3-yl]carbamate hydrochloride
CAS Number:
1149380-69-7
Molecular Formula:
C12H23ClN2O2
Molecular Weight:
262.7762
MDL Number:
MFCD23099170
IUPAC Name:
tert-butyl N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]carbamate;hydrochloride
InChI:
InChI=1S/C12H22N2O2.ClH/c1-12(2,3)16-11(15)14-10-6-8-4-5-9(7-10)13-8;/h8-10,13H,4-7H2,1-3H3,(H,14,15);1H/t8-,9+,10?;
InChI Key:
FAJOKGXZZTZLAU-CVLICLBHSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1C[C@@H]2CC[C@H](C1)N2.Cl
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
262.145g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.778g/mol
Monoisotopic Mass:
262.145g/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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