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1417793-37-3 | Methanone, [4-(aminomethyl)-1-piperidinyl]-1-isoquinolinyl-, hydrochloride (1:1)
CAS No: 1417793-37-3 Catalog No: AG001H2Z MDL No:
Product Description
Catalog Number:
AG001H2Z
Chemical Name:
Methanone, [4-(aminomethyl)-1-piperidinyl]-1-isoquinolinyl-, hydrochloride (1:1)
CAS Number:
1417793-37-3
Molecular Formula:
C16H20ClN3O
Molecular Weight:
305.8025
IUPAC Name:
[4-(aminomethyl)piperidin-1-yl]-isoquinolin-1-ylmethanone;hydrochloride
InChI:
InChI=1S/C16H19N3O.ClH/c17-11-12-6-9-19(10-7-12)16(20)15-14-4-2-1-3-13(14)5-8-18-15;/h1-5,8,12H,6-7,9-11,17H2;1H
InChI Key:
WPTZDPTXTIFKKR-UHFFFAOYSA-N
SMILES:
NCC1CCN(CC1)C(=O)c1nccc2c1cccc2.Cl
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.129g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.806g/mol
Monoisotopic Mass:
305.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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