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26210-39-9 | Isoquinoline, 3,4-dihydro-1-methyl-, hydrochloride (1:1)
CAS No: 26210-39-9 Catalog No: AG002S9N MDL No:MFCD00142660
Product Description
Catalog Number:
AG002S9N
Chemical Name:
Isoquinoline, 3,4-dihydro-1-methyl-, hydrochloride (1:1)
CAS Number:
26210-39-9
Molecular Formula:
C10H12ClN
Molecular Weight:
181.6620
MDL Number:
MFCD00142660
IUPAC Name:
1-methyl-3,4-dihydroisoquinoline;hydrochloride
InChI:
InChI=1S/C10H11N.ClH/c1-8-10-5-3-2-4-9(10)6-7-11-8;/h2-5H,6-7H2,1H3;1H
InChI Key:
PGUZPOADJHTSNH-UHFFFAOYSA-N
SMILES:
CC1=NCCc2c1cccc2.Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.663g/mol
Monoisotopic Mass:
181.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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