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Home > Other Heterocycles > 198210-96-7
198210-96-7 | Carbamic acid, 3-azabicyclo[3.3.1]non-9-yl-, 1,1-dimethylethyl ester
CAS No: 198210-96-7 Catalog No: AG00IKU1 MDL No:MFCD23703627
Product Description
Catalog Number:
AG00IKU1
Chemical Name:
Carbamic acid, 3-azabicyclo[3.3.1]non-9-yl-, 1,1-dimethylethyl ester
CAS Number:
198210-96-7
Molecular Formula:
C13H24N2O2
Molecular Weight:
240.3419
MDL Number:
MFCD23703627
IUPAC Name:
tert-butyl N-(3-azabicyclo[3.3.1]nonan-9-yl)carbamate
InChI:
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-9-5-4-6-10(11)8-14-7-9/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChI Key:
YHJXPBPXADEIFA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1C2CCCC1CNC2
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.184g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.347g/mol
Monoisotopic Mass:
240.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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