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Home > Pyridines > 109573-05-9
109573-05-9 | tert-butyl N-[2-(pyridin-4-yl)ethyl]carbamate
CAS No: 109573-05-9 Catalog No: AG019YJO MDL No:MFCD01318366
Product Description
Catalog Number:
AG019YJO
Chemical Name:
tert-butyl N-[2-(pyridin-4-yl)ethyl]carbamate
CAS Number:
109573-05-9
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
MDL Number:
MFCD01318366
IUPAC Name:
tert-butyl N-(2-pyridin-4-ylethyl)carbamate
InChI:
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-9-6-10-4-7-13-8-5-10/h4-5,7-8H,6,9H2,1-3H3,(H,14,15)
InChI Key:
USCDBHWHNSBPSG-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1ccncc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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