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Home > Other Heterocycles > 1955506-09-8
1955506-09-8 | benzyl N-{2-azabicyclo[2.1.1]hexan-5-yl}carbamate hydrochloride
CAS No: 1955506-09-8 Catalog No: AG01C4QE MDL No:MFCD29906972
Product Description
Catalog Number:
AG01C4QE
Chemical Name:
benzyl N-{2-azabicyclo[2.1.1]hexan-5-yl}carbamate hydrochloride
CAS Number:
1955506-09-8
Molecular Formula:
C13H17ClN2O2
Molecular Weight:
268.7393
MDL Number:
MFCD29906972
IUPAC Name:
benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate;hydrochloride
InChI:
InChI=1S/C13H16N2O2.ClH/c16-13(15-12-10-6-11(12)14-7-10)17-8-9-4-2-1-3-5-9;/h1-5,10-12,14H,6-8H2,(H,15,16);1H
InChI Key:
HAWOMYSRFYRBHL-UHFFFAOYSA-N
SMILES:
O=C(NC1C2NCC1C2)OCc1ccccc1.Cl
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.741g/mol
Monoisotopic Mass:
268.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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