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1417794-21-8 | tert-butyl N-[(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]carbamate
CAS No: 1417794-21-8 Catalog No: AG01C2YQ MDL No:MFCD11973755
Product Description
Catalog Number:
AG01C2YQ
Chemical Name:
tert-butyl N-[(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]carbamate
CAS Number:
1417794-21-8
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
MDL Number:
MFCD11973755
IUPAC Name:
tert-butyl N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)carbamate
InChI:
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-13-12-7-5-4-6-11(12)8-9-16-13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18)
InChI Key:
QVYKNCRSCRVYBA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1NCCc2c1cccc2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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