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90101-20-5 | (4-METHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS No: 90101-20-5 Catalog No: AG00GRVY MDL No:MFCD07776933
Product Description
Catalog Number:
AG00GRVY
Chemical Name:
(4-METHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS Number:
90101-20-5
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD07776933
IUPAC Name:
tert-butyl N-(4-methylpyridin-2-yl)carbamate
InChI:
InChI=1S/C11H16N2O2/c1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14)
InChI Key:
SABMAMDNSRZJBK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1nccc(c1)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:
2.1
Literature
| Title | Journal |
|---|---|
| tert-Butyl N-(4-methyl-2-pyrid-yl)-carbamate. | Acta crystallographica. Section E, Structure reports online 20081101 |
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