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871113-10-9 | Isoquinoline, 1,2,3,4-tetrahydro-2-(4-piperidinyl)-, dihydrochloride
CAS No: 871113-10-9 Catalog No: AG00H31K MDL No:MFCD06796139
Product Description
Catalog Number:
AG00H31K
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-2-(4-piperidinyl)-, dihydrochloride
CAS Number:
871113-10-9
Molecular Formula:
C14H22Cl2N2
Molecular Weight:
289.2439
MDL Number:
MFCD06796139
IUPAC Name:
2-piperidin-4-yl-3,4-dihydro-1H-isoquinoline;dihydrochloride
InChI:
InChI=1S/C14H20N2.2ClH/c1-2-4-13-11-16(10-7-12(13)3-1)14-5-8-15-9-6-14;;/h1-4,14-15H,5-11H2;2*1H
InChI Key:
VYFNNHPULPCQLH-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)N1CCc2c(C1)cccc2.Cl.Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.244g/mol
Monoisotopic Mass:
288.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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