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219862-14-3 | tert-Butyl (1,2,3,4-tetrahydroquinolin-3-yl);carbamate
CAS No: 219862-14-3 Catalog No: AG006Y78 MDL No:MFCD02181058
Product Description
Catalog Number:
AG006Y78
Chemical Name:
tert-Butyl (1,2,3,4-tetrahydroquinolin-3-yl);carbamate
CAS Number:
219862-14-3
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD02181058
IUPAC Name:
tert-butyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
InChI:
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-11-8-10-6-4-5-7-12(10)15-9-11/h4-7,11,15H,8-9H2,1-3H3,(H,16,17)
InChI Key:
GAURNOYXRZQBNV-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CNc2c(C1)cccc2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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