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tert-butyl N-(3-methylpyridin-4-yl)carbamate

tert-butyl N-(3-methylpyridin-4-yl)carbamate

CAS: 180253-65-0

Formula: C11H16N2O2

SMILES: CC1=C(NC(=O)OC(C)(C)C)C=CN=C1

IUPAC: tert-butyl N-(3-methylpyridin-4-yl)carbamate

InChI: InChI=1S/C11H16N2O2/c1-8-7-12-6-5-9(8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14)

Composition: C (63.44%), H (7.74%), N (13.45%), O (15.36%)

Molar Mass: 208.261

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 208.121177763
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RZPXITSRAQPKRU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.23
Topological Polar Surface Area 51.22
Polarizability 22.29
Ring Count 1
Rotatable Bond Count 3

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