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1628557-04-9 | 3-Isoquinolinemethanamine, hydrochloride (1:1)
CAS No: 1628557-04-9 Catalog No: AG001THT MDL No:MFCD18802679
Product Description
Catalog Number:
AG001THT
Chemical Name:
3-Isoquinolinemethanamine, hydrochloride (1:1)
CAS Number:
1628557-04-9
Molecular Formula:
C10H11ClN2
Molecular Weight:
194.6607
MDL Number:
MFCD18802679
IUPAC Name:
isoquinolin-3-ylmethanamine;hydrochloride
InChI:
InChI=1S/C10H10N2.ClH/c11-6-10-5-8-3-1-2-4-9(8)7-12-10;/h1-5,7H,6,11H2;1H
InChI Key:
DZPYZGKIJXRUOZ-UHFFFAOYSA-N
SMILES:
NCc1ncc2c(c1)cccc2.Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.662g/mol
Monoisotopic Mass:
194.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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