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14901-96-3

14901-96-3 | Benzamide, N-(1,2,3,4-tetrahydro-4-isoquinolinyl)-

CAS No: 14901-96-3 Catalog No: AG00HXOE MDL No:MFCD22105634

Product Description

Catalog Number:
AG00HXOE
Chemical Name:
Benzamide, N-(1,2,3,4-tetrahydro-4-isoquinolinyl)-
CAS Number:
14901-96-3
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
MDL Number:
MFCD22105634
IUPAC Name:
N-(1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
InChI:
InChI=1S/C16H16N2O/c19-16(12-6-2-1-3-7-12)18-15-11-17-10-13-8-4-5-9-14(13)15/h1-9,15,17H,10-11H2,(H,18,19)
InChI Key:
ADXADQCZLBBBLF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NC1CNCc2c1cccc2

Properties

Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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