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Home > Pyridines > 102297-41-6
102297-41-6 | Carbamic acid, N-(3-pyridinylmethyl)-, 1,1-dimethylethyl ester
CAS No: 102297-41-6 Catalog No: AG00074X MDL No:MFCD06411296
Product Description
Catalog Number:
AG00074X
Chemical Name:
Carbamic acid, N-(3-pyridinylmethyl)-, 1,1-dimethylethyl ester
CAS Number:
102297-41-6
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD06411296
IUPAC Name:
tert-butyl N-(pyridin-3-ylmethyl)carbamate
InChI:
InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-8-9-5-4-6-12-7-9/h4-7H,8H2,1-3H3,(H,13,14)
InChI Key:
PHQXGCNECRISKB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cccnc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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