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742668-24-2 | N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CAS No: 742668-24-2 Catalog No: AG01C3KX MDL No:MFCD09937329
Product Description
Catalog Number:
AG01C3KX
Chemical Name:
N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CAS Number:
742668-24-2
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD09937329
IUPAC Name:
N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
InChI:
InChI=1S/C12H16N2O/c1-2-13-12(15)11-7-9-5-3-4-6-10(9)8-14-11/h3-6,11,14H,2,7-8H2,1H3,(H,13,15)
InChI Key:
JLBQKJXQPPFPJI-UHFFFAOYSA-N
SMILES:
CCNC(=O)C1NCc2c(C1)cccc2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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