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Home > Other Heterocycles > 2059949-62-9
2059949-62-9 | tert-butyl N-({3-azabicyclo[3.2.1]octan-8-yl}methyl)carbamate hydrochloride
CAS No: 2059949-62-9 Catalog No: AG01BS0I MDL No:MFCD30535987
Product Description
Catalog Number:
AG01BS0I
Chemical Name:
tert-butyl N-({3-azabicyclo[3.2.1]octan-8-yl}methyl)carbamate hydrochloride
CAS Number:
2059949-62-9
Molecular Formula:
C13H25ClN2O2
Molecular Weight:
276.8028
MDL Number:
MFCD30535987
IUPAC Name:
tert-butyl N-(3-azabicyclo[3.2.1]octan-8-ylmethyl)carbamate;hydrochloride
InChI:
InChI=1S/C13H24N2O2.ClH/c1-13(2,3)17-12(16)15-8-11-9-4-5-10(11)7-14-6-9;/h9-11,14H,4-8H2,1-3H3,(H,15,16);1H
InChI Key:
CXKQVCIWSQTTGI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1C2CNCC1CC2.Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.16g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
276.805g/mol
Monoisotopic Mass:
276.16g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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