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1481447-59-9

1481447-59-9 | 1,2,3,4-tetrahydroisoquinoline-4-carboxamide

CAS No: 1481447-59-9 Catalog No: AG01BXMR MDL No:MFCD08060932

Product Description

Catalog Number:
AG01BXMR
Chemical Name:
1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CAS Number:
1481447-59-9
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD08060932
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-4-carboxamide
InChI:
InChI=1S/C10H12N2O/c11-10(13)9-6-12-5-7-3-1-2-4-8(7)9/h1-4,9,12H,5-6H2,(H2,11,13)
InChI Key:
CMVGQEYEMIILTQ-UHFFFAOYSA-N
SMILES:
NC(=O)C1CNCc2c1cccc2

Properties

Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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