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1607347-26-1 | 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)but-2-enamide hydrochloride
CAS No: 1607347-26-1 Catalog No: AG01AP5E MDL No:MFCD29034414
Product Description
Catalog Number:
AG01AP5E
Chemical Name:
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)but-2-enamide hydrochloride
CAS Number:
1607347-26-1
Molecular Formula:
C14H19ClN2O
Molecular Weight:
266.7665
MDL Number:
MFCD29034414
IUPAC Name:
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)but-2-enamide;hydrochloride
InChI:
InChI=1S/C14H18N2O.ClH/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);1H
InChI Key:
PDXQQBVNKZODHN-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)Nc1ccc2c(c1)CNCC2)C.Cl
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.769g/mol
Monoisotopic Mass:
266.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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