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1257080-97-9 | 1-Boc-4-methyl-1,2,3,4-tetrahydro-pyridine
CAS No: 1257080-97-9 Catalog No: AG01ERBK MDL No:
Product Description
Catalog Number:
AG01ERBK
Chemical Name:
1-Boc-4-methyl-1,2,3,4-tetrahydro-pyridine
CAS Number:
1257080-97-9
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
IUPAC Name:
tert-butyl 4-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h5,7,9H,6,8H2,1-4H3
InChI Key:
KTUITLXLOCRTDS-UHFFFAOYSA-N
SMILES:
CC1CCN(C=C1)C(=O)OC(C)(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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