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157405-77-1 | 3-Isoquinolinemethanamine, hydrochloride (1:2)
CAS No: 157405-77-1 Catalog No: AG001PFM MDL No:
Product Description
Catalog Number:
AG001PFM
Chemical Name:
3-Isoquinolinemethanamine, hydrochloride (1:2)
CAS Number:
157405-77-1
Molecular Formula:
C10H12Cl2N2
Molecular Weight:
231.1217
IUPAC Name:
isoquinolin-3-ylmethanamine;dihydrochloride
InChI:
InChI=1S/C10H10N2.2ClH/c11-6-10-5-8-3-1-2-4-9(8)7-12-10;;/h1-5,7H,6,11H2;2*1H
InChI Key:
DDPBHPURBVOVKA-UHFFFAOYSA-N
SMILES:
NCc1ncc2c(c1)cccc2.Cl.Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.12g/mol
Monoisotopic Mass:
230.038g/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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