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1461708-95-1 | tert-butyl N-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]carbamate
CAS No: 1461708-95-1 Catalog No: AG01A6Q4 MDL No:MFCD25970395
Product Description
Catalog Number:
AG01A6Q4
Chemical Name:
tert-butyl N-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]carbamate
CAS Number:
1461708-95-1
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
MDL Number:
MFCD25970395
IUPAC Name:
tert-butyl N-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]carbamate
InChI:
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-9-8-14-10-12-6-4-5-7-13(12)11-18-14/h4-7,14,18H,8-11H2,1-3H3,(H,17,19)
InChI Key:
CNAKHJPYSUZKTE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCC1NCc2c(C1)cccc2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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