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885951-71-3 | tert-Butyl (1,2,3,4-tetrahydroquinolin-4-yl)carbamate
CAS No: 885951-71-3 Catalog No: AG004CW4 MDL No:MFCD02181063
Product Description
Catalog Number:
AG004CW4
Chemical Name:
tert-Butyl (1,2,3,4-tetrahydroquinolin-4-yl)carbamate
CAS Number:
885951-71-3
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD02181063
IUPAC Name:
tert-butyl N-(1,2,3,4-tetrahydroquinolin-4-yl)carbamate
InChI:
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-8-9-15-11-7-5-4-6-10(11)12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)
InChI Key:
JNDJUQHDAWUNKN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCNc2c1cccc2
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:
2.6
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