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1219095-87-0 | Carbamic acid, N-(2-methyl-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 1219095-87-0 Catalog No: AG0016DD MDL No:MFCD17169891
Product Description
Catalog Number:
AG0016DD
Chemical Name:
Carbamic acid, N-(2-methyl-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
1219095-87-0
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD17169891
IUPAC Name:
tert-butyl N-(2-methylpyridin-3-yl)carbamate
InChI:
InChI=1S/C11H16N2O2/c1-8-9(6-5-7-12-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,13,14)
InChI Key:
RQLNGFJNDOYANP-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccnc1C)OC(C)(C)C
Properties
Complexity:
223
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:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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