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1260779-54-1 | 8-Isoquinolinamine, 5-bromo-1,2,3,4-tetrahydro-
CAS No: 1260779-54-1 Catalog No: AG000R7X MDL No:MFCD13193651
Product Description
Catalog Number:
AG000R7X
Chemical Name:
8-Isoquinolinamine, 5-bromo-1,2,3,4-tetrahydro-
CAS Number:
1260779-54-1
Molecular Formula:
C9H11BrN2
Molecular Weight:
227.1010
MDL Number:
MFCD13193651
IUPAC Name:
5-bromo-1,2,3,4-tetrahydroisoquinolin-8-amine
InChI:
InChI=1S/C9H11BrN2/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-2,12H,3-5,11H2
InChI Key:
ZCXVHSIERUIKMS-UHFFFAOYSA-N
SMILES:
Nc1ccc(c2c1CNCC2)Br
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.011g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.105g/mol
Monoisotopic Mass:
226.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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