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2059927-36-3 | tert-butyl N-[2-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethyl]carbamate
CAS No: 2059927-36-3 Catalog No: AG01BPFF MDL No:MFCD30500183
Product Description
Catalog Number:
AG01BPFF
Chemical Name:
tert-butyl N-[2-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethyl]carbamate
CAS Number:
2059927-36-3
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
MDL Number:
MFCD30500183
IUPAC Name:
tert-butyl N-[2-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethyl]carbamate
InChI:
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-7-12-5-4-6-13-11-17-9-8-14(12)13/h4-6,17H,7-11H2,1-3H3,(H,18,19)
InChI Key:
IULRLYCJHITWKR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1cccc2c1CCNC2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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