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105487-98-7 | Isopropyl-isoquinolin-1-ylmethyl-amine
CAS No: 105487-98-7 Catalog No: AG01FCII MDL No:
Product Description
Catalog Number:
AG01FCII
Chemical Name:
Isopropyl-isoquinolin-1-ylmethyl-amine
CAS Number:
105487-98-7
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
IUPAC Name:
N-(isoquinolin-1-ylmethyl)propan-2-amine
InChI:
InChI=1S/C13H16N2/c1-10(2)15-9-13-12-6-4-3-5-11(12)7-8-14-13/h3-8,10,15H,9H2,1-2H3
InChI Key:
ZAMMNZRJDOPNNB-UHFFFAOYSA-N
SMILES:
CC(NCc1nccc2c1cccc2)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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