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1406287-00-0 | 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)but-2-enamide
CAS No: 1406287-00-0 Catalog No: AG01AM41 MDL No:MFCD19054699
Product Description
Catalog Number:
AG01AM41
Chemical Name:
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)but-2-enamide
CAS Number:
1406287-00-0
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
MDL Number:
MFCD19054699
IUPAC Name:
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)but-2-enamide
InChI:
InChI=1S/C14H18N2O/c1-10(2)7-14(17)16-13-4-3-11-5-6-15-9-12(11)8-13/h3-4,7-8,15H,5-6,9H2,1-2H3,(H,16,17)
InChI Key:
RQQZEMRYZNQKAX-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)Nc1ccc2c(c1)CNCC2)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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