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152035-13-7

152035-13-7 | 7-(Benzyloxy)-1,2,3,4-tetrahydroisoquinoline

CAS No: 152035-13-7 Catalog No: AG00HXXL MDL No:MFCD17966681

Product Description

Catalog Number:
AG00HXXL
Chemical Name:
7-(Benzyloxy)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
152035-13-7
Molecular Formula:
C16H17NO
Molecular Weight:
239.3123
MDL Number:
MFCD17966681
IUPAC Name:
7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C16H17NO/c1-2-4-13(5-3-1)12-18-16-7-6-14-8-9-17-11-15(14)10-16/h1-7,10,17H,8-9,11-12H2
InChI Key:
PTJGGNFFJMNHPL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1ccc2c(c1)CNCC2

Properties

Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.131g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.318g/mol
Monoisotopic Mass:
239.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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