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1423034-30-3

1423034-30-3 | 1-benzyl-1,2,3,4-tetrahydroisoquinoline, sulfuric acid

CAS No: 1423034-30-3 Catalog No: AG01A2MS MDL No:MFCD22578658

Product Description

Catalog Number:
AG01A2MS
Chemical Name:
1-benzyl-1,2,3,4-tetrahydroisoquinoline, sulfuric acid
CAS Number:
1423034-30-3
Molecular Formula:
C16H19NO4S
Molecular Weight:
321.3914
MDL Number:
MFCD22578658
IUPAC Name:
1-benzyl-1,2,3,4-tetrahydroisoquinoline;sulfuric acid
InChI:
InChI=1S/C16H17N.H2O4S/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16;1-5(2,3)4/h1-9,16-17H,10-12H2;(H2,1,2,3,4)
InChI Key:
LUFRTTSGDKBEGY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CC1NCCc2c1cccc2.OS(=O)(=O)O

Properties

Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.103g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
321.391g/mol
Monoisotopic Mass:
321.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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