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20390-35-6 | Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(4-pyridinyl)-, hydrochloride (1:2)
CAS No: 20390-35-6 Catalog No: AG002976 MDL No:
Product Description
Catalog Number:
AG002976
Chemical Name:
Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(4-pyridinyl)-, hydrochloride (1:2)
CAS Number:
20390-35-6
Molecular Formula:
C16H18Cl2N2
Molecular Weight:
309.2335
IUPAC Name:
3,3-dimethyl-1-pyridin-4-yl-4H-isoquinoline;dihydrochloride
InChI:
InChI=1S/C16H16N2.2ClH/c1-16(2)11-13-5-3-4-6-14(13)15(18-16)12-7-9-17-10-8-12;;/h3-10H,11H2,1-2H3;2*1H
InChI Key:
UNPGEZSLPYXOEE-UHFFFAOYSA-N
SMILES:
CC1(C)Cc2ccccc2C(=N1)c1ccncc1.Cl.Cl
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.234g/mol
Monoisotopic Mass:
308.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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