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155413-72-2 | Isoquinoline, 1,2,3,4-tetrahydro-1-(phenylmethyl)-, hydrochloride
CAS No: 155413-72-2 Catalog No: AG01A3AQ MDL No:MFCD22741220
Product Description
Catalog Number:
AG01A3AQ
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-1-(phenylmethyl)-, hydrochloride
CAS Number:
155413-72-2
Molecular Formula:
C16H18ClN
Molecular Weight:
259.7738
MDL Number:
MFCD22741220
IUPAC Name:
1-benzyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C16H17N.ClH/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16;/h1-9,16-17H,10-12H2;1H
InChI Key:
NWSISAGBOKRDJJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CC1NCCc2c1cccc2.Cl
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.113g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.777g/mol
Monoisotopic Mass:
259.113g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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