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1023594-61-7 | tert-Butyl 1-(2-aminophenyl)piperidin-4-ylcarbamate
CAS No: 1023594-61-7 Catalog No: AG01F8NR MDL No:
Product Description
Catalog Number:
AG01F8NR
Chemical Name:
tert-Butyl 1-(2-aminophenyl)piperidin-4-ylcarbamate
CAS Number:
1023594-61-7
Molecular Formula:
C16H25N3O2
Molecular Weight:
291.3886
IUPAC Name:
tert-butyl N-[1-(2-aminophenyl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18-12-8-10-19(11-9-12)14-7-5-4-6-13(14)17/h4-7,12H,8-11,17H2,1-3H3,(H,18,20)
InChI Key:
HXRKJMSOGBWAIK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)c1ccccc1N
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.195g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.395g/mol
Monoisotopic Mass:
291.195g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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